SCHEMBL6476808

SCHEMBL6476808

[CH2]/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(Cl)c3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.58
ERBB2 P04626 14/20 0.58
FECH P22830 1/20 0.58
CDK8 P49336 1/20 0.58
MAP2K5 Q13163 1/20 0.58
CDK19 Q9BWU1 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
ERBB3 P21860 5/20 0.49
ERBB4 Q15303 5/20 0.49
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
PIP4K2A P48426 1/20 0.45

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
SCHEMBL6476813 1.00 EGFR (0.58) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6476818 0.92 EGFR (0.58) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6483503 0.91 ERBB2 (0.68) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618422 0.89 EGFR (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618427 0.89 EGFR (0.61) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4618941 0.87 EGFR (0.60) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL2990203 0.85 EGFR (0.57) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175305 0.84 EGFR (0.63) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL4617012 0.84 EGFR (0.71) EGFRERBB2FECHCDK8MAP2K5
SCHEMBL6175312 0.84 EGFR (0.63) EGFRERBB2FECHCDK8MAP2K5

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
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed