SCHEMBL5089588

SCHEMBL5089588

Nc1cnc2[nH]cc(C=C3CN=C(NCc4ccccc4)N3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.37
▸ DHFR P00374 2/20 0.36
▸ CDC7 O00311 3/20 0.35
▸ IP6K1 Q92551 1/20 0.34
▸ DYRK1A Q13627 4/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ CLK1 P49759 2/20 0.33
▸ PLK4 O00444 2/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ ROCK2 O75116 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ RET P07949 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ PRKACA P17612 2/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ AKT1 P31749 2/20 0.33
▸ KDR P35968 2/20 0.33

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
SCHEMBL5089827 0.79 IP6K1 (0.38) EGFRDHFRCDC7IP6K1DYRK1A
SCHEMBL5089833 0.79 IP6K1 (0.38) EGFRDHFRCDC7IP6K1DYRK1A
SCHEMBL5095473 0.79 IP6K1 (0.38) EGFRDHFRCDC7IP6K1DYRK1A
SCHEMBL5094652 0.65 POLB (0.42) EGFRCDC7
SCHEMBL5101093 0.65 POLB (0.42) EGFRCDC7
SCHEMBL5089603 0.65 SMN1; SMN2 (0.44) EGFRCDC7IP6K1RET
SCHEMBL5094643 0.65 POLB (0.42) EGFRCDC7
SCHEMBL5092683 0.65 SMN1; SMN2 (0.44) EGFRCDC7IP6K1RET
SCHEMBL5089591 0.65 SMN1; SMN2 (0.44) EGFRCDC7IP6K1RET
SCHEMBL13821349 0.63 ALDH1A1 (0.48) GSK3BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 — — US disclosed
US-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2007-05-17 — — US 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-20070112020-A1 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K20, MAP3K6, MAP3K1 EGFR 678/4885DHFR 756/4885CDC7 128/4885

“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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