SCHEMBL5345865

SCHEMBL5345865

O=C(Nc1csc(-c2cccnc2)n1)Nc1csc(-c2cccnc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 3/20 0.63
CDK5R1 Q15078 3/20 0.63
CYP19A1 P11511 4/20 0.60
AXL P30530 1/20 0.60
PBRM1 Q86U86 1/20 0.60
MKNK1 Q9BUB5 1/20 0.60
MKNK2 Q9HBH9 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
IRAK4 Q9NWZ3 5/20 0.59
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
CYP2E1 P05181 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
TLR7 Q9NYK1 1/20 0.54

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
SCHEMBL5788420 0.96 CDK5 (0.70) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5345119 0.93 CDK5 (0.67) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5342305 0.91 CDK5 (0.77) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5337575 0.90 CYP19A1 (0.60) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL14558736 0.89 CDK5 (0.54) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5346853 0.89 EGFR (0.54) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL6758522 0.89 HDAC6 (0.58) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5347542 0.88 CDK5 (0.56) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5338292 0.87 CDK5 (0.55) CDK5CDK5R1CYP19A1AXLPBRM1
SCHEMBL5339323 0.87 LMNA (0.61) CDK5CDK5R1CYP19A1AXLPBRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1619184-A2 Urea compounds as kinase inhibitors Amgen, Inc. (US) 2006-01-25 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed