SCHEMBL6563517

SCHEMBL6563517

Cc1ccc(C(=O)N(C)c2ccccn2)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.45
NQO2 P16083 2/20 0.45
F10 P00742 2/20 0.45
PLG P00747 2/20 0.45
PLAT P00750 2/20 0.45
SLC22A2 O15244 1/20 0.45
PROC P04070 1/20 0.45
HPN P05981 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
SLC47A2 Q86VL8 1/20 0.45
SLC47A1 Q96FL8 1/20 0.45
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PLAU P00749 2/20 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
SCHEMBL6561967 0.91 F2 (0.42) F2NQO2F10PLGPLAT
SCHEMBL6563250 0.85 PLAU (0.54) F2NQO2F10PLGPLAT
SCHEMBL6565428 0.85 MEN1 (0.34) F2NQO2F10PLGPLAT
SCHEMBL6561871 0.81 KMT2A (0.46) F10MEN1KMT2AALDH1A1GAA
SCHEMBL6562343 0.81 F2 (0.54) F2NQO2F10PLGPLAT
SCHEMBL6565360 0.80 F2 (0.59) F2NQO2F10PLGPLAT
SCHEMBL6561959 0.80 MLYCD (0.41) F2F10HPNPRSS1PLAU
SCHEMBL6562387 0.79 NQO2 (0.51) F2NQO2F10PLGPLAT
SCHEMBL6564395 0.78 NQO2 (0.63) F2NQO2F10PLGPLAT
SCHEMBL6565690 0.78 PLAU (0.54) F2NQO2F10PLGPLAT

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