SCHEMBL5836047

SCHEMBL5836047

CC(C)c1cnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.63
▸ LMNA P02545 5/20 0.62
▸ MAPT P10636 5/20 0.62
▸ HPGD P15428 2/20 0.62
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ HTT P42858 3/20 0.61
▸ CACNA1B Q00975 1/20 0.61
▸ APBA1 Q02410 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ CYP3A4 P08684 2/20 0.59
▸ CCNE1 P24864 1/20 0.59
▸ CDK2 P24941 1/20 0.59
▸ CDK5 Q00535 1/20 0.59
▸ GAA P10253 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ PTGER4 P35408 1/20 0.56
▸ TACR3 P29371 1/20 0.56

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
SCHEMBL5835240 0.81 CDK2 (0.68) ALDH1A1HTTCCNE1CDK2CDK5
SCHEMBL1898854 0.78 MAPT (0.74) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL6177659 0.77 CDK2 (0.73) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL1897991 0.77 MAPT (0.72) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL5835810 0.76 CDK2 (0.85) ALDH1A1MAPTMEN1KMT2ACCNE1
SCHEMBL14970875 0.75 CYP3A4 (1.00) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL5836102 0.75 CDK2 (1.00) ALDH1A1LMNAHPGDMEN1KMT2A
SCHEMBL5836180 0.74 CDK2 (0.69) ALDH1A1MAPTHPGDHTTKDM4E
SCHEMBL1900463 0.74 TDP1 (0.73) ALDH1A1LMNAMAPTHPGDMEN1
SCHEMBL5836413 0.74 CDK2 (0.62) ALDH1A1CCNE1CDK2CDK5

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
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