SCHEMBL5835781

SCHEMBL5835781

Cc1cnc(C(=O)Nc2ncc(C(C)C)s2)cn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
RAB9A P51151 5/20 0.66
ALDH1A1 P00352 4/20 0.66
CDK2 P24941 7/20 0.59
CCNE1 P24864 6/20 0.59
CDK5 Q00535 6/20 0.59
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
BLM P54132 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
CCNT1 O60563 1/20 0.49
CDK1 P06493 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCNA2 P20248 1/20 0.49
CCND1 P24385 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
SCHEMBL5480830 0.84 ALDH1A1 (0.49) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL5480080 0.83 SMN1; SMN2 (0.62) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL5836108 0.77 CDK2 (0.55) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL13436517 0.77 CDK2 (0.65) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL5835631 0.76 CCNE1 (0.64) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL5835261 0.76 CDK2 (0.77) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL5835992 0.76 CDK2 (0.68) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL681610 0.76 CDK2 (0.73) SMN1; SMN2ALDH1A1CDK2CCNE1CDK5
SCHEMBL5835853 0.76 CDK2 (0.56) NPC1SMN1; SMN2RAB9AALDH1A1CDK2
SCHEMBL6995924 0.76 MAPK1 (0.58) NPC1SMN1; SMN2RAB9AALDH1A1KDM4E

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