SCHEMBL27570633

SCHEMBL27570633

CC(C)c1cnc(NC(=O)N2CCN(O)CC2)s1

nearest known ligand 0.61

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 0.48
CCNT1 O60563 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
MNAT1 P51948 1/20 0.48
CDK5R1 Q15078 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FDPS P14324 1/20 0.45
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44

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
SCHEMBL6282734 0.89 CDK2 (0.61) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6284830 0.85 CDK2 (0.59) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6286647 0.84 CDK2 (0.58) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6286715 0.84 CCNE1 (0.54) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6285598 0.81 PANK3 (0.58) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL6282604 0.80 CDK2 (0.53) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6283976 0.80 CDK2 (0.59) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6284863 0.80 CCNE1 (0.60) CDK2CCNE1CDK5ALDH1A1CCNT1
SCHEMBL6285286 0.80 MAPT (0.59) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL2677661 0.80 CDK2 (0.50) CDK2CCNE1CDK5ALDH1A1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1325390-A 2-ureido-thiazole derivatives, process for their preparation, and their use as antitumor agents PHARMACIA & UPJOHN SPA (IT) 2001-12-05 CN disclosed