SCHEMBL6172476

SCHEMBL6172476

CC1C=CC=C(C(=O)Nc2ncc(C(C)C)s2)C1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.51
CCNE1 P24864 6/20 0.51
CDK5 Q00535 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
CCNT1 O60563 1/20 0.43
CDK1 P06493 1/20 0.43
CDK4 P11802 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CDK7 P50613 1/20 0.43
CDK9 P50750 1/20 0.43
CCNH P51946 1/20 0.43
MNAT1 P51948 1/20 0.43
CDK5R1 Q15078 1/20 0.43
FDPS P14324 1/20 0.42
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38

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
SCHEMBL6173892 0.80 CDK2 (0.43) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL27574298 0.71 CDK2 (0.71) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL13436517 0.70 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL6174654 0.70 CDK2 (0.51) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL681610 0.69 CDK2 (0.73) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL6174076 0.69 CDK2 (0.50) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5835781 0.69 NPC1 (0.66) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836061 0.68 CDK2 (0.62) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL13436490 0.68 SMN1; SMN2 (0.62) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1
SCHEMBL5836102 0.68 CDK2 (1.00) CDK2CCNE1CDK5SMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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