SCHEMBL5554543

SCHEMBL5554543

CC(C)(O)C#Cc1ccc2ncnc(Nc3ccc4[nH]ccc4c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.64
PIK3CA P42336 1/20 0.51
PIK3CG P48736 1/20 0.51
ERBB2 P04626 1/20 0.51
FLT1 P17948 6/20 0.49
RET P07949 1/20 0.49
KDR P35968 1/20 0.45
MAP3K14 Q99558 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
SCHEMBL7976688 0.84 EGFR (0.67) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL7966427 0.80 EGFR (0.61) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL8093519 0.78 EGFR (1.00) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL1733829 0.77 EGFR (0.76) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL5553169 0.76 EGFR (0.63) EGFRPIK3CAPIK3CGERBB2
SCHEMBL5549473 0.76 EGFR (0.63) EGFRERBB2KDR
SCHEMBL8976304 0.76 EGFR (0.71) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL7979941 0.76 EGFR (0.54) EGFRPIK3CAPIK3CGERBB2FLT1
SCHEMBL1022178 0.75 IMPDH2 (0.53) MAP3K14
SCHEMBL7124503 0.75 EGFR (0.71) EGFRPIK3CAPIK3CGERBB2FLT1

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
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed