SCHEMBL5836147

SCHEMBL5836147

COc1cc(C(=O)Nc2ncc(C(C)C)s2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.61
CDK2 P24941 3/20 0.61
CDK5 Q00535 3/20 0.61
SMN1; SMN2 Q16637 5/20 0.58
BRD4 O60885 2/20 0.58
MAPT P10636 2/20 0.58
RAB9A P51151 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
ALDH1A1 P00352 2/20 0.49
ESR1 P03372 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5835381 0.86 CDK2 (0.63) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL5835951 0.85 CCNE1 (0.64) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL5835741 0.84 CCNE1 (0.60) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL5835902 0.83 HPGD (0.62) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL5835667 0.82 SMN1; SMN2 (0.73) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL5835455 0.81 CCNE1 (0.59) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL5836697 0.81 CCNE1 (0.59) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL22510115 0.81 SMN1; SMN2 (0.60) SMN1; SMN2BRD4MAPTRAB9ACA1
SCHEMBL5836365 0.81 CDK2 (0.56) CCNE1CDK2CDK5SMN1; SMN2MAPT
SCHEMBL5835992 0.80 CDK2 (0.68) CCNE1CDK2CDK5SMN1; SMN2RAB9A

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-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 claimed
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