SCHEMBL6487993

SCHEMBL6487993

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.51
ERBB2 P04626 12/20 0.48
ERBB3 P21860 7/20 0.48
ERBB4 Q15303 7/20 0.48
FLT1 P17948 1/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
LCK P06239 1/20 0.46

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
SCHEMBL6486733 0.91 EGFR (0.51) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL6483391 0.89 ERBB2 (0.49) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL6174356 0.89 EGFR (0.63) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL5077437 0.89 EGFR (0.51) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL5077429 0.88 EGFR (0.58) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL6476691 0.88 EGFR (0.51) EGFRERBB2ERBB3ERBB4
SCHEMBL6175165 0.87 EGFR (0.55) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL6176991 0.86 EGFR (0.51) EGFRERBB2ERBB3ERBB4FLT1
SCHEMBL6175157 0.85 EGFR (0.53) EGFRERBB2ERBB4FLT1EPHA2
SCHEMBL6175020 0.84 EGFR (0.47) EGFRERBB2ERBB3ERBB4FLT1

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