SCHEMBL5835977

SCHEMBL5835977

CCCC(=O)Nc1ncc(C2CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.55
CCNE1 P24864 11/20 0.55
CDK5 Q00535 11/20 0.55
CDK5R1 Q15078 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
MAPK10 P53779 1/20 0.52
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
RAB9A P51151 2/20 0.47
CCNA2 P20248 1/20 0.47
CCNA1 P78396 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL28414024 0.84 PARP1 (0.51) CDK2CCNE1CDK5CDK5R1SMN1; SMN2
SCHEMBL5837409 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPK10ALDH1A1RAB9ANPC1
SCHEMBL5837008 0.77 SMN1; SMN2 (0.56) SMN1; SMN2MAPK10ALDH1A1LMNARAB9A
SCHEMBL5835735 0.77 SMN1; SMN2 (0.83) CDK2CCNE1CDK5SMN1; SMN2MAPK10
SCHEMBL27481150 0.75 SMN1; SMN2 (0.54) SMN1; SMN2MAPK10ALDH1A1LMNARAB9A
SCHEMBL5835819 0.75 CDK2 (0.63) CDK2CCNE1CDK5CDK5R1SMN1; SMN2
SCHEMBL27572348 0.74 CCNE1 (0.70) CDK2CCNE1CDK5CDK5R1
SCHEMBL5479999 0.74 CCNE1 (0.65) CDK2CCNE1CDK5CDK5R1SMN1; SMN2
SCHEMBL20883053 0.73 CCNE1 (0.60) CDK2CCNE1CDK5CDK5R1SMN1; SMN2
SCHEMBL15581413 0.72 SMN1; SMN2 (0.51) CDK2CCNE1CDK5SMN1; SMN2MAPK10

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
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN claimed
US-7037929-B1 2-amino-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN S.P.A. (IT) 2006-05-02 US disclosed
CN-1325389-A 2-aminothiazole derivatives, process for preparing the same and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed