SCHEMBL6173591

SCHEMBL6173591

CCC(C(=O)Nc1ncc(C(C)C)s1)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.61
CCNE1 P24864 6/20 0.61
CDK5 Q00535 6/20 0.61
ALDH1A1 P00352 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
CCNT1 O60563 1/20 0.60
CDK1 P06493 1/20 0.60
CDK4 P11802 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNA2 P20248 1/20 0.60
CCND1 P24385 1/20 0.60
CDK7 P50613 1/20 0.60
CDK9 P50750 1/20 0.60
CCNH P51946 1/20 0.60
MNAT1 P51948 1/20 0.60
CDK5R1 Q15078 1/20 0.60
POLB P06746 3/20 0.59
MAPT P10636 1/20 0.59
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55

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
SCHEMBL6171920 0.89 CDK2 (0.60) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6171917 0.89 CDK2 (0.60) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6174923 0.89 CDK2 (0.60) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835996 0.85 CDK2 (0.58) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836467 0.84 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836458 0.84 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836791 0.84 CDK2 (0.67) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5836965 0.84 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL233519 0.83 KCNQ2 (0.54) ALDH1A1SMN1; SMN2POLBMAPTCRHBP
SCHEMBL5835801 0.82 CDK2 (0.64) CDK2CCNE1CDK5ALDH1A1SMN1; 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 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