SCHEMBL6561948

SCHEMBL6561948

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.36
ITGA2B P08514 4/20 0.36
F2 P00734 9/20 0.36
NQO2 P16083 1/20 0.33
F10 P00742 8/20 0.32
PRSS1 P07477 3/20 0.32
F7 P08709 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.31
PLAU P00749 1/20 0.30
PLAT P00750 1/20 0.30
PRSS2 P07478 1/20 0.30
F3 P13726 1/20 0.30
PRSS3 P35030 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL7677445 0.92 ITGB3 (0.36) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563705 0.88 PRSS1 (0.35) ITGB3ITGA2BF2NQO2F10
SCHEMBL6565218 0.87
SCHEMBL6565268 0.86 F2 (0.38) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563659 0.83 ITGB3 (0.37) ITGB3ITGA2BF2NQO2F10
SCHEMBL6562044 0.83 NQO2 (0.37) ITGB3ITGA2BF2NQO2F10
SCHEMBL7670888 0.83 F2 (0.38) ITGB3ITGA2BF2F10PRSS1
SCHEMBL6563285 0.82 ITGB3 (0.39) ITGB3ITGA2BF2NQO2F10
SCHEMBL6563331 0.82 F2 (0.43) ITGB3ITGA2BF2
SCHEMBL6563243 0.81 ITGB3 (0.39) ITGB3ITGA2BF2NQO2F10

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