SCHEMBL5483779

SCHEMBL5483779

CC1=CCC(=S)C(C(=O)Nc2ccc(CC(=O)Nc3ncc(C(C)C)s3)cc2)=C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.56
CCNE1 P24864 13/20 0.56
CDK5 Q00535 13/20 0.56
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CCNT1 O60563 1/20 0.56
CDK1 P06493 1/20 0.56
CDK4 P11802 1/20 0.56
CCNB1 P14635 1/20 0.56
CCNA2 P20248 1/20 0.56
CCND1 P24385 1/20 0.56
CDK7 P50613 1/20 0.56
CDK9 P50750 1/20 0.56
CCNH P51946 1/20 0.56
MNAT1 P51948 1/20 0.56
CDK5R1 Q15078 1/20 0.56
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6174654 0.86 CDK2 (0.51) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5480080 0.79 SMN1; SMN2 (0.62) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5480558 0.78 CDK2 (0.73) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5477827 0.78 CDK2 (0.64) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726464 0.77 CDK2 (0.72) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5476972 0.77 CDK2 (0.88) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726471 0.77 CDK2 (0.72) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5726612 0.77 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5477822 0.77 CDK2 (0.65) CDK2CCNE1CDK5ALDH1A1SMN1; SMN2
SCHEMBL5835800 0.77 CCNE1 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204649-B1 ARYLMETHYL-CARBONYLAMINO-THIAZOLE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS PFIZER ITALIA SRL (IT) 2007-10-17 EP claimed