SCHEMBL6483391

SCHEMBL6483391

[CH2]C#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.49
EGFR P00533 8/20 0.47
ERBB4 Q15303 2/20 0.47
ERBB3 P21860 1/20 0.47
FECH P22830 2/20 0.45
CDK8 P49336 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NQO2 P16083 1/20 0.43
MYH14 Q7Z406 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43
DYRK1A Q13627 1/20 0.42
RAF1 P04049 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
SCHEMBL6487993 0.89 EGFR (0.51) ERBB2EGFRERBB4ERBB3FLT1
SCHEMBL5078469 0.89 ERBB2 (0.60) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL5081054 0.89 ERBB2 (0.53) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL4619108 0.89 ERBB2 (0.55) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6173008 0.88 ERBB2 (0.56) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6189061 0.88 EGFR (0.56) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL5081050 0.88 ERBB2 (0.52) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6176629 0.87 ERBB2 (0.52) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6175648 0.87 EGFR (0.55) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6175257 0.87 ERBB2 (0.56) ERBB2EGFRERBB4ERBB3FECH

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