SCHEMBL6565366

SCHEMBL6565366

CCOC(=O)CNC(=O)N(c1ccc(C#CCNc2ccc(C(=N)N)cc2)c(C(F)(F)F)c1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
POLB P06746 1/20 0.34
F2 P00734 9/20 0.34
F10 P00742 6/20 0.34
PRSS1 P07477 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NQO2 P16083 1/20 0.32
IDH1 O75874 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
SCHEMBL6561891 0.90 ITGB3 (0.37) F7ITGB3ITGA2BPOLBF2
SCHEMBL6565297 0.90 F7 (0.38) F7ITGB3ITGA2BF2F10
SCHEMBL6565440 0.89 F7 (0.36) F7ITGB3ITGA2BPOLBF2
SCHEMBL6563553 0.88 F7 (0.36) F7ITGB3ITGA2BPOLBF2
SCHEMBL7670888 0.82 F2 (0.38) F7ITGB3ITGA2BPOLBF2
SCHEMBL6565368 0.82 ITGB3 (0.37) F7ITGB3ITGA2BF2F10
SCHEMBL6565394 0.82 F2 (0.36) ITGB3ITGA2BPOLBF2F10
SCHEMBL6563515 0.80 F2 (0.36) F7ITGB3ITGA2BF2F10
SCHEMBL6565989 0.80 ITGB3 (0.36) F7ITGB3ITGA2BF2F10
SCHEMBL6563740 0.79 F7 (0.37) F7ITGB3ITGA2BF2F10

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed