SCHEMBL18800767

SCHEMBL18800767

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)ncc(-c2cccc(C(=O)N3CCOCC3)c2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ F10 P00742 2/20 0.46
▸ ATR Q13535 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ CYP11B1 P15538 1/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ PARP14 Q460N5 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ ROS1 P08922 1/20 0.42
▸ FGFR1 P11362 1/20 0.42

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
SCHEMBL18800831 0.85 TNK2 (0.50) F10MAP4K4BTKTNK2
SCHEMBL18800556 0.84 ATR (0.44) F10ATRALDH1A1HPGDPARP14
SCHEMBL18780338 0.82 RAB9A (0.50) RAB9AMEN1KMT2AF10ATR
SCHEMBL18800691 0.82 BTK (0.43) F10ALDH1A1BTKTNK2
SCHEMBL18800693 0.81 IGF1R (0.46) F10BTKTNK2
SCHEMBL6116481 0.80 BTK (0.55) RAB9AMEN1KMT2AATRALDH1A1
SCHEMBL18800635 0.79 BTK (0.48) BTKTNK2
SCHEMBL18800914 0.78 CFD (0.45) RAB9AKMT2AALDH1A1HPGDJAK2
SCHEMBL18800807 0.76 ATR (0.48) RAB9AF10ATRALDH1A1HPGD
SCHEMBL18800755 0.74 TNK2 (0.50) F10MAP4K4BTKTNK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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