SCHEMBL6486733

SCHEMBL6486733

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.51
FLT1 P17948 1/20 0.47
EPHA2 P29317 1/20 0.47
KDR P35968 1/20 0.47
EPHB4 P54760 1/20 0.47
ERBB2 P04626 9/20 0.47
ERBB3 P21860 4/20 0.47
ERBB4 Q15303 4/20 0.47
LCK P06239 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
SCHEMBL5077437 0.92 EGFR (0.51) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6174356 0.92 EGFR (0.63) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6487993 0.91 EGFR (0.51) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6175165 0.90 EGFR (0.55) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6176991 0.89 EGFR (0.51) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6175157 0.88 EGFR (0.53) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6189113 0.86 ERBB2 (0.51) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6175138 0.86 ERBB2 (0.49) EGFRFLT1EPHA2KDREPHB4
SCHEMBL5077429 0.86 EGFR (0.58) EGFRFLT1EPHA2KDREPHB4
SCHEMBL6177169 0.85 ERBB2 (0.53) EGFRERBB2ERBB4LCK

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