SCHEMBL5835907

SCHEMBL5835907

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

nearest known ligand 0.62

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
SMN1; SMN2 Q16637 2/20 0.61
CCNT1 O60563 1/20 0.61
ALDH1A1 P00352 1/20 0.61
CDK1 P06493 1/20 0.61
CDK4 P11802 1/20 0.61
CCNB1 P14635 1/20 0.61
CCNA2 P20248 1/20 0.61
CCND1 P24385 1/20 0.61
CDK7 P50613 1/20 0.61
CDK9 P50750 1/20 0.61
CCNH P51946 1/20 0.61
MNAT1 P51948 1/20 0.61
CDK5R1 Q15078 1/20 0.61
PSEN1 P49768 4/20 0.49
PSEN2 P49810 4/20 0.49
APH1B Q8WW43 4/20 0.49
NCSTN Q92542 4/20 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
SCHEMBL6174125 0.87 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835819 0.87 CDK2 (0.63) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5836043 0.85 CDK2 (0.61) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835570 0.85 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL13436514 0.83 CDK2 (0.67) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6191790 0.83 CDK2 (0.62) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5835682 0.82 CDK2 (0.65) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5837242 0.81 CDK2 (0.56) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL5836598 0.80 CCNE1 (0.77) CDK2CCNE1CDK5SMN1; SMN2CCNT1
SCHEMBL6185321 0.80 CDK2 (0.58) CDK2CCNE1CDK5SMN1; SMN2CCNT1

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
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
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