SCHEMBL6563553

SCHEMBL6563553

CCOC(=O)CNC(=O)N(c1cc(C(F)(F)F)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.36
F2 P00734 10/20 0.35
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
POLB P06746 1/20 0.34
F10 P00742 4/20 0.34
PRSS1 P07477 1/20 0.34
IDH1 O75874 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.32
ALOX5 P09917 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL6565440 0.95 F7 (0.36) F7F2ITGB3ITGA2BPOLB
SCHEMBL6563740 0.91 F7 (0.37) F7F2ITGB3ITGA2BF10
SCHEMBL7670888 0.91 F2 (0.38) F7F2ITGB3ITGA2BPOLB
SCHEMBL6563515 0.89 F2 (0.36) F7F2ITGB3ITGA2BF10
SCHEMBL6565366 0.88 F7 (0.36) F7F2ITGB3ITGA2BPOLB
SCHEMBL6565394 0.86 F2 (0.36) F2ITGB3ITGA2BPOLBF10
SCHEMBL6563363 0.85 F2 (0.38) F7F2ITGB3ITGA2BF10
SCHEMBL6563595 0.85 F7 (0.38) F7F2ITGB3ITGA2BF10
SCHEMBL6563086 0.85 F2 (0.39) F7F2ITGB3ITGA2BF10
SCHEMBL6561873 0.83 ITGB3 (0.38) F7F2ITGB3ITGA2BF10

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
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed