SCHEMBL22558085

SCHEMBL22558085

CC(=O)c1c(C)c2cnc(S(C)(=O)=O)nc2n([C@H]2CCN(C(=O)O)C2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 18/20 0.52
CDK4 P11802 17/20 0.52
CDK6 Q00534 9/20 0.52
CDK2 P24941 6/20 0.52
CCNE1 P24864 3/20 0.52
CCNT1 O60563 3/20 0.52
CDK9 P50750 3/20 0.52
CDK1 P06493 1/20 0.52
CCND3 P30281 13/20 0.47
CCND2 P30279 6/20 0.45
FGFR1 P11362 3/20 0.43
CCNA2 P20248 3/20 0.43
FGFR2 P21802 3/20 0.43
FGFR4 P22455 3/20 0.43
FGFR3 P22607 3/20 0.43
NUAK1 O60285 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
CCNA1 P78396 1/20 0.43

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
SCHEMBL22566529 0.88 PIK3CA (0.49) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL19021561 0.85 CDK4 (0.66) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL22553551 0.84 CDK4 (0.48) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL22553515 0.76 CDK4 (0.83) CCND1CDK4CDK6CCND3
SCHEMBL22566623 0.74 PIK3CA (0.49) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL22553600 0.73 CDK4 (0.39) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL4137710 0.72 PIK3CA (0.40) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL22557914 0.71 CDK4 (0.41) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL22553522 0.71 CDK4 (0.41) CCND1CDK4CDK6CDK2CCNE1
SCHEMBL19294159 0.71 CDK4 (0.64) CCND1CDK4CDK6CDK2CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3956031-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH Pfizer Inc. (US) 2022-02-23 EP disclosed
CN-114007697-A Antiproliferative agents for the treatment of PAH 辉瑞公司 2022-02-01 CN disclosed
WO-2020212865-A1 ANTI-PROLIFERATIVE AGENTS FOR TREATING PAH PFIZER INC. (US) 2020-10-22 WO disclosed