SCHEMBL29514972

SCHEMBL29514972

CC(C)c1cc[n+]([O-])c2cc(-c3nc(Cl)ncc3F)sc12

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 5/20 0.38
CDK4 P11802 1/20 0.38
CDK6 Q00534 4/20 0.33

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
SCHEMBL25695039 1.00 CCND1 (0.38) CCND1CDK4CDK6
SCHEMBL24322143 0.85 CCND1 (0.37) CCND1CDK4CDK6
SCHEMBL24322338 0.77 CCND1 (0.59) CCND1CDK4CDK6
SCHEMBL29514841 0.71 CCND1 (0.61) CCND1CDK4CDK6
SCHEMBL24676493 0.68 SMN1; SMN2 (0.35)
SCHEMBL29755049 0.68 SMN1; SMN2 (0.35)
SCHEMBL394534 0.65 ABL1 (0.34)
SCHEMBL25695270 0.65 CCND1 (0.41) CCND1CDK4CDK6
SCHEMBL24054302 0.65 ADORA2A (0.37)
SCHEMBL4075180 0.63 DCK (0.43)

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-4214213-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS Prelude Therapeutics, Incorporated (US) 2023-07-26 EP disclosed
WO-2022061273-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2022-03-24 WO disclosed