SCHEMBL5836102

SCHEMBL5836102

CC(C)c1cnc(NC(=O)c2ccccc2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 7/20 1.00
▸ CCNE1 P24864 6/20 1.00
▸ CDK5 Q00535 6/20 1.00
▸ KDR P35968 1/20 0.67
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ CCNT1 O60563 1/20 0.65
▸ CDK1 P06493 1/20 0.65
▸ CDK4 P11802 1/20 0.65
▸ CCNB1 P14635 1/20 0.65
▸ CCNA2 P20248 1/20 0.65
▸ CCND1 P24385 1/20 0.65
▸ CDK7 P50613 1/20 0.65
▸ CDK9 P50750 1/20 0.65
▸ CCNH P51946 1/20 0.65
▸ MNAT1 P51948 1/20 0.65
▸ CDK5R1 Q15078 1/20 0.65
▸ SCD O00767 1/20 0.60
▸ TSHR P16473 1/20 0.53
▸ TP53 P04637 1/20 0.52

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
SCHEMBL5835810 0.92 CDK2 (0.85) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL6176147 0.90 CDK2 (0.82) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL6279014 0.89 CDK2 (0.80) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL5836732 0.88 CDK2 (0.79) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL5836464 0.88 CCNE1 (0.79) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL5836120 0.87 CDK2 (0.77) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL5835791 0.87 CDK2 (0.77) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL5835261 0.87 CDK2 (0.77) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL6189521 0.86 CDK2 (0.75) CDK2CCNE1CDK5KDRSMN1; SMN2
SCHEMBL5835708 0.86 CDK2 (0.75) CDK2CCNE1CDK5KDRSMN1; SMN2

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
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
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