SCHEMBL5835455

SCHEMBL5835455

COc1ccc(C(=O)Nc2ncc(C(C)C)s2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.59
CDK2 P24941 3/20 0.59
CDK5 Q00535 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
TP53 P04637 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
SCD O00767 4/20 0.49
TAS1R3 Q7RTX0 4/20 0.49
TAS1R1 Q7RTX1 4/20 0.49
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
HTT P42858 2/20 0.48

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 0.90 CDK2 (0.63) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL5836194 0.87 CDK2 (0.66) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL5836697 0.86 CCNE1 (0.59) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL5835741 0.85 CCNE1 (0.60) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL5836365 0.84 CDK2 (0.56) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL5835140 0.83 MAPT (0.59) CCNE1CDK2CDK5CYP3A4MAPT
SCHEMBL5835868 0.82 KCNMA1 (0.61) CCNE1CDK2CDK5NPC1MAPT
SCHEMBL5836147 0.81 CCNE1 (0.61) CCNE1CDK2CDK5SMN1; SMN2RAB9A
SCHEMBL5835991 0.81 CCNE1 (0.71) CCNE1CDK2CDK5SMN1; SMN2NPC1
SCHEMBL5835693 0.81 CCNE1 (0.55) CCNE1CDK2CDK5SMN1; SMN2NPC1

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 8 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
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
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
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