SCHEMBL6196326

SCHEMBL6196326

Nc1nc(NC2CCN(S(=O)(=O)c3ccc(-c4cccnc4)nc3)CC2)sc1C(=O)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 10/20 0.47
CCNA2 P20248 6/20 0.47
CDK4 P11802 4/20 0.45
CCND1 P24385 4/20 0.45
CDK1 P06493 2/20 0.45
CCNT1 O60563 2/20 0.42
CDK9 P50750 2/20 0.42
CDK6 Q00534 2/20 0.42
CDK11A Q9UQ88 2/20 0.42
CDK5 Q00535 4/20 0.42
CDK5R1 Q15078 4/20 0.42
RAB9A P51151 1/20 0.41
GSK3B P49841 2/20 0.40
CCNE1 P24864 2/20 0.39
POLB P06746 1/20 0.38
CCNE2 O96020 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 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
Hydrochloric Acid SCHEMBL6408432 0.99 CDK2 (0.47) CDK2CCNA2CDK4CCND1CDK1
SCHEMBL6409070 0.93 CDK2 (0.46) CDK2CCNA2CDK4CCND1CDK1
SCHEMBL6196407 0.92 CDK2 (0.49) CDK2CCNA2CDK4CCND1CDK1
SCHEMBL6197196 0.91 CDK2 (0.53) CDK2CCNA2CDK4CCND1CDK1
Trifluoroacetic Acid SCHEMBL6197870 0.88 CDK2 (0.46) CDK2CCNA2CDK4CCND1CDK1
SCHEMBL6197281 0.88 CDK4 (0.50) CDK2CCNA2CDK4CCND1CDK1
Hydrochloric Acid SCHEMBL6416884 0.86 CDK2 (0.43) CDK2CCNA2CDK4CCND1CDK1
SCHEMBL6196820 0.86 CDK4 (0.49) CDK2CCNA2CDK4CCND1CDK1
SCHEMBL6196776 0.86 CDK4 (0.49) CDK2CCNA2CDK4CCND1CDK1
Hydrochloric Acid SCHEMBL6218550 0.85 CDK4 (0.48) CDK2CCNA2CDK4CCND1CDK1

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-1597256-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2005-11-23 EP disclosed
WO-2004074283-A1 N-HETEROCYCLYL-SUBSTITUTED AMINO-THIAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2004-09-02 WO disclosed