SCHEMBL6565368

SCHEMBL6565368

CCOC(=O)CN(C(=O)Nc1ccc(C#CCNc2ccc(C(=N)N)cc2)c(C(F)(F)F)c1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
F7 P08709 1/20 0.35
UBE2M P61081 2/20 0.34
DCUN1D1 Q96GG9 2/20 0.34
AR P10275 6/20 0.34
IDH1 O75874 1/20 0.32
F10 P00742 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
F2 P00734 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL6565445 0.91 ITGB3 (0.36) ITGB3ITGA2BF7F10HTT
SCHEMBL6563559 0.90 ITGB3 (0.36) ITGB3ITGA2BF7IDH1F10
SCHEMBL6565306 0.89 F7 (0.39) ITGB3ITGA2BF7UBE2MDCUN1D1
SCHEMBL6561894 0.89 ITGB3 (0.40) ITGB3ITGA2BF7F10F2
SCHEMBL7670894 0.83 ITGB3 (0.39) ITGB3ITGA2BF7F10F2
SCHEMBL6565399 0.82 ITGB3 (0.37) ITGB3ITGA2BF7F10F2
SCHEMBL6565366 0.82 F7 (0.36) ITGB3ITGA2BF7IDH1F10
SCHEMBL6563523 0.81 ITGB3 (0.37) ITGB3ITGA2BF7F10F2
SCHEMBL6563746 0.80 F7 (0.37) ITGB3ITGA2BF7ARF10
SCHEMBL6563366 0.80 ITGB3 (0.39) ITGB3ITGA2BF7F10MAPT

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