SCHEMBL8324366

SCHEMBL8324366

CNC(NC(Cc1ccncc1)C1CCCNC1)=C(C#N)C#N

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 14/20 0.33
KCNH2 Q12809 1/20 0.32
PRKCZ Q05513 1/20 0.32
CDK2 P24941 1/20 0.32
AKT1 P31749 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRM3 P20309 1/20 0.31
CHRNA4 P43681 1/20 0.31
NAMPT P43490 1/20 0.31
CHEK1 O14757 2/20 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
SCHEMBL8326152 0.88 MC4R (0.37) CTSCKCNH2
SCHEMBL8326340 0.88 CTSC (0.43) CTSCKCNH2CHRM1
SCHEMBL8330460 0.87 CTSC (0.46) CTSCKCNH2
SCHEMBL8327687 0.86 DPP4 (0.36) CTSCCHEK1
SCHEMBL8330711 0.83 EPHX1 (0.39) CTSCKCNH2CHRM2CHRM1CHRM3
SCHEMBL8329549 0.83 CTSC (0.37) CTSCKCNH2CDK2AKT1
SCHEMBL8329020 0.81 KDM4E (0.37) CTSC
SCHEMBL8326123 0.75 CTSC (0.37) CTSCKCNH2
SCHEMBL8325601 0.69 CTSC (0.36) CTSCKCNH2
Hydrochloric Acid SCHEMBL1623808 0.66 CTSC (0.44) CTSC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760368-B1 PYRIMIDINE DERIVATIVES NISSHIN FLOUR MILLING CO (JP) 1999-07-28 EP disclosed
EP-0760362-A1 NOVEL DIAMINOMETHYLIDENE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed
EP-0760368-A1 NOVEL PYRIMIDINE DERIVATIVE NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-03-05 EP disclosed