SCHEMBL31726565

SCHEMBL31726565

COc1nc(S(C)(=O)=O)ncc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
CDK2 P24941 7/20 0.40
CDK1 P06493 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LRRK2 Q5S007 5/20 0.39
CDK4 P11802 2/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CCR4 P51679 1/20 0.38
HTT P42858 2/20 0.37

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
SCHEMBL25243394 1.00 KDR (0.44) KDRAURKAAURKBCDK2CDK1
SCHEMBL25205981 0.84 CDK2 (0.46) KDRCDK2CDK1NPSR1TP53
SCHEMBL30397985 0.80 SDHB (0.46) KDRCDK2CDK1LMNAHPGD
SCHEMBL25239800 0.80 SDHB (0.46) KDRCDK2CDK1LMNAHPGD
SCHEMBL25527480 0.80 CDK1 (0.64) KDRCDK2CDK1LRRK2CDK4
SCHEMBL24087394 0.80 SDHB (0.39) KDRCDK2CDK1SMN1; SMN2LMNA
SCHEMBL29141591 0.77 TLR9 (0.39) KDRCDK2CDK1SMN1; SMN2LMNA
SCHEMBL7377255 0.76 LMNA (0.44) SMN1; SMN2LMNANPSR1KDM4ETP53
SCHEMBL6042880 0.76 KMT2A (0.45) SMN1; SMN2LMNAHPGDNPSR1KDM4E
SCHEMBL22400987 0.75 LMNA (0.43) KDRCDK2CDK1SMN1; SMN2LMNA

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-2025235261-A1 BIFUNCTIONAL COMPOUNDS CONTAINING 2,4,5-SUBSTITUTED PYRIMIDINE DERIVATIVES FOR DEGRADING CERTAIN CYCLIN-DEPENDENT KINASE VIA UBIQUITIN PROTEASOME PATHWAY NIKANG THERAPEUTICS, INC. (US) 2025-11-13 WO disclosed