SCHEMBL24676945

SCHEMBL24676945

CSN1CCC(Nc2cc(-c3sc(N(C)C(=O)OC(C)(C)C)nc3C(F)(F)F)c(C#N)cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 13/20 0.38
SYK P43405 3/20 0.35
CCNT1 O60563 1/20 0.35
GPR119 Q8TDV5 2/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 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
SCHEMBL24676012 0.89 GPR119 (0.45) RORCSYKCCNT1GPR119
SCHEMBL24676697 0.80 RORC (0.37) RORCSYKCCNT1GPR119
SCHEMBL29755073 0.78 GPBAR1 (0.34) GPR119
SCHEMBL24676006 0.78 GPBAR1 (0.34) GPR119
SCHEMBL24676942 0.77 CDK2 (0.43) SYKCCNT1
SCHEMBL29754970 0.70 CCR6 (0.40) RORCCCNT1GPR119
SCHEMBL24676010 0.70 CCR6 (0.40) RORCCCNT1GPR119
SCHEMBL24676695 0.70 GPR119 (0.46) RORCGPR119
SCHEMBL24676473 0.69 RORC (0.35) RORCCCNT1
SCHEMBL24677046 0.69 CCNT1 (0.34) RORCCCNT1

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-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed