SCHEMBL6483503

SCHEMBL6483503

[CH2]C=Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.68
EGFR P00533 11/20 0.68
FECH P22830 2/20 0.68
CDK8 P49336 1/20 0.68
MAP2K5 Q13163 1/20 0.68
CDK19 Q9BWU1 1/20 0.68
MKNK2 Q9HBH9 1/20 0.68
ERBB3 P21860 1/20 0.60
ERBB4 Q15303 1/20 0.60
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KCNH2 Q12809 3/20 0.49
RIPK3 Q9Y572 2/20 0.44
RIPK1 Q13546 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NQO2 P16083 1/20 0.44
MYH14 Q7Z406 1/20 0.44

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
SCHEMBL6476808 0.91 EGFR (0.58) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6476813 0.91 EGFR (0.58) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173028 0.88 ERBB2 (0.75) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173015 0.88 ERBB2 (0.75) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617788 0.88 ERBB2 (0.72) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4799703 0.88 ERBB2 (0.72) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617348 0.88 ERBB2 (0.72) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4962435 0.88 ERBB2 (0.71) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4962447 0.88 ERBB2 (0.71) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4962734 0.87 ERBB2 (0.73) ERBB2EGFRFECHCDK8MAP2K5

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