SCHEMBL7062367

SCHEMBL7062367

O=C(Nc1cccc(CN2CCCCC2)n1)Nc1csc(-c2ccc(S)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 13/20 0.48
CDK5R1 Q15078 13/20 0.48
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
CCNA1 P78396 6/20 0.43
DYRK1A Q13627 1/20 0.42
ACKR3 P25106 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN9A Q15858 1/20 0.38
ENPP2 Q13822 1/20 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
SCHEMBL5337648 0.91 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5342321 0.90 CDK5 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5343095 0.90 ACKR3 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338265 0.90 CDK5 (0.59) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345598 0.90 CDK5 (0.59) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5347573 0.90 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2CCNA1
Hydrochloric Acid SCHEMBL5337336 0.89 CDK5 (0.58) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5342527 0.89 CDK5 (0.60) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348188 0.88 CDK5 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5343245 0.88 CDK5 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1

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-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