SCHEMBL4036451

SCHEMBL4036451

CN1CCC(Oc2cccc3[nH]c(-c4nc(-c5cnn(C6CCNCC6)c5)cnc4N)nc23)C1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.62
FGFR1 P11362 7/20 0.47
FGFR2 P21802 7/20 0.47
FGFR3 P22607 7/20 0.47
ATR Q13535 8/20 0.46
MAP4K3 Q8IVH8 2/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43

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
SCHEMBL4052067 0.90 EGFR (0.55) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4038434 0.87 EGFR (0.57) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4045036 0.86 EGFR (0.57) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4035619 0.86 EGFR (0.55) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4044869 0.85 MAP4K3 (0.56) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4052605 0.85 EGFR (0.55) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4038747 0.82 EGFR (0.54) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL3952099 0.82 EGFR (0.59) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL4045979 0.81 EGFR (0.76) EGFRFGFR1FGFR2FGFR3ATR
SCHEMBL3948919 0.80 EGFR (0.57) EGFRFGFR1FGFR2FGFR3ATR

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
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
WO-2009024825-A1 2-PYRAZINYLBENZIMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed