SCHEMBL5835669

SCHEMBL5835669

COc1cccc2cc(C(=O)Nc3ncc(C(C)C)s3)oc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 6/20 0.52
CDK2 P24941 6/20 0.52
CDK5 Q00535 6/20 0.52
LMNA P02545 1/20 0.52
RECQL P46063 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48
MMP2 P08253 1/20 0.48
MMP14 P50281 1/20 0.48
MAPT P10636 3/20 0.47
HTT P42858 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47

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
SCHEMBL16688463 0.86 NPC1 (0.67) LMNARECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL16688458 0.78 RAB9A (0.61) LMNARECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL5835976 0.78 CCNE1 (0.64) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL5835869 0.77 KDM4E (0.61) CCNE1CDK2CDK5LMNAALDH1A1
SCHEMBL6282725 0.75 CDK2 (0.63) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL6833294 0.75 RAB9A (0.66) LMNARECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL6839243 0.75 NPC1 (0.74) LMNARECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL5835381 0.74 CDK2 (0.63) CCNE1CDK2CDK5ALDH1A1KMT2A
SCHEMBL24766411 0.74 LMNA (0.63) LMNARECQLALDH1A1KMT2ASMN1; SMN2
SCHEMBL5835908 0.74 CCNE1 (0.53) CCNE1CDK2CDK5LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP claimed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP 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
EP-1124810-B9 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-12-28 EP disclosed
EP-1124810-B1 2-AMINO-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-04 EP disclosed