SCHEMBL6199289

SCHEMBL6199289

CC(Oc1ccc(S(=O)(=O)N(c2nc(N)c(C(=O)c3c(F)cccc3F)s2)C2CCNCC2)cn1)[C@H]1CCCNC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CHEK1 O14757 3/20 0.32
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
CDK6 Q00534 1/20 0.31
CDK11A Q9UQ88 1/20 0.31
CDK2 P24941 3/20 0.31
CDK1 P06493 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CCNA2 P20248 1/20 0.30
ATR Q13535 1/20 0.30
CCNB1 P14635 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL6219074 0.80 CDK5 (0.46) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6408288 0.80 ATM (0.37) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6409882 0.77 CDK5 (0.34) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL3384258 0.75 CDK5 (0.44) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6198783 0.75 CDK5 (0.45) CDK5CDK5R1CHEK1CDK4CCND1
SCHEMBL6195580 0.74 CDK5 (0.40) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL6196519 0.71 CDK5 (0.42) CDK5CDK5R1CDK4CCND1CCNT1
SCHEMBL3384838 0.65 CDK5 (0.60) CDK5CDK5R1CDK2ALDH1A1CCNA2
SCHEMBL6196947 0.64 CDK5 (0.77) CDK5CDK5R1CHEK1CDK4CCND1
SCHEMBL3386063 0.64 CDK2 (0.43) CDK5CDK5R1CDK4CCND1CCNT1

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