SCHEMBL25527480

SCHEMBL25527480

COC[C@H](C)Oc1nc(S(C)(=O)=O)ncc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 18/20 0.64
CDK2 P24941 18/20 0.64
KDR P35968 16/20 0.64
CDK4 P11802 5/20 0.42
CCNB1 P14635 4/20 0.42
CCNE1 P24864 4/20 0.42
LRRK2 Q5S007 2/20 0.34
CCNT1 O60563 2/20 0.34
CCND1 P24385 2/20 0.34
CDK9 P50750 2/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 1/20 0.34
CDK3 Q00526 1/20 0.34

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
SCHEMBL25205981 0.82 CDK2 (0.46) CDK1CDK2KDRCDK4CCNB1
SCHEMBL31726565 0.80 KDR (0.44) CDK1CDK2KDRCDK4CCNB1
SCHEMBL25243394 0.80 KDR (0.44) CDK1CDK2KDRCDK4CCNB1
SCHEMBL2148887 0.79 CDK1 (0.54) CDK1CDK2KDRCDK4CCNB1
SCHEMBL2519755 0.78 CDK2 (1.00) CDK1CDK2KDRCDK4CCNB1
SCHEMBL25227101 0.77 CDK1 (0.52) CDK1CDK2KDRCDK4CCNB1
SCHEMBL30397324 0.77 CDK1 (0.52) CDK1CDK2KDRCDK4CCNB1
SCHEMBL25227102 0.77 CDK1 (0.52) CDK1CDK2KDRCDK4CCNB1
SCHEMBL25527464 0.77 CDK1 (0.52) CDK1CDK2KDRCDK4CCNB1
SCHEMBL30397310 0.75 CDK1 (0.53) CDK1CDK2KDRCDK4CCNB1

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
WO-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed