SCHEMBL3663899

SCHEMBL3663899

O=C(Nc1ccncc1F)c1cnc2c(Cl)cc(Cl)nn12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ HSD17B13 Q7Z5P4 1/20 0.37
▸ EPHB3 P54753 1/20 0.37
▸ ATR Q13535 5/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ F10 P00742 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ NUDT1 P36639 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3721115 0.89 GAA (0.38) MCL1RAB9AHSD17B13ATRROCK2
SCHEMBL13745245 0.89 RAB9A (0.36) MCL1RAB9AHSD17B13EPHB3ATR
SCHEMBL13745774 0.89 HDAC3 (0.40) ATR
SCHEMBL3721919 0.86 TYK2 (0.41) RAB9AHSD17B13ATRROCK2F10
SCHEMBL3729986 0.85 TYK2 (0.44) ATR
SCHEMBL3720955 0.83 TYK2 (0.38) ATRCYP3A4F10
SCHEMBL3721289 0.82 ROCK2 (0.47) ROCK2CYP3A4MEN1KMT2A
SCHEMBL13745067 0.82 TYK2 (0.34) RAB9AHSD17B13ATRMEN1KMT2A
SCHEMBL3722959 0.82 TYK2 (0.33) RAB9AATRROCK2MEN1KMT2A
SCHEMBL3774212 0.82 ATR (0.38) RAB9AATRNPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
EP-2240488-B1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-11-02 — — EP disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-8389527-B2 Substituted imidazopyridazines useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-05 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-23 — — US disclosed
EP-2240488-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2010-10-20 — — EP disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed
WO-2009100375-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-13 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100323994-A1 SUBSTITUTED IMIDAZOPYRIDAZINES USEFUL AS KINASE INHIBITORS MAP3K5, MAP4K2, MAP3K15 MCL1 355/4885RAB9A 1484/4885HSD17B13 4081/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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