SCHEMBL6236350

SCHEMBL6236350

O=C(c1ccccc1)c1ccc(Nc2ncnc3cc(C#CN4CCCC4)sc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 5/20 0.49
EGFR P00533 12/20 0.47
ERBB2 P04626 10/20 0.45
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
MET P08581 1/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL6236027 0.88 EGFR (0.47) FLT1EGFRERBB2
SCHEMBL6236342 0.80 EGFR (0.56) FLT1EGFRERBB2
SCHEMBL6236344 0.80 EGFR (0.56) FLT1EGFRERBB2
SCHEMBL6239860 0.74 EGFR (0.58) EGFRERBB2
SCHEMBL6235814 0.74 EGFR (0.49) EGFR
SCHEMBL6233383 0.74 NTRK1 (0.40) FLT1EGFRERBB2
SCHEMBL6269171 0.74 EGFR (0.41) EGFRERBB2
SCHEMBL6252739 0.73 EGFR (0.42) EGFRERBB2
SCHEMBL6271807 0.72 EGFR (0.39) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6234145 0.72 EGFR (0.67) EGFRERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO claimed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed