SCHEMBL24676697

SCHEMBL24676697

CSN1CCC(Nc2cc(-c3sc(N(C(=O)OC(C)(C)C)C4CCCC4)nc3C(F)(F)F)c(F)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.37
CCNT1 O60563 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
SYK P43405 1/20 0.34
DYRK2 Q92630 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
SCHEMBL24676695 0.89 GPR119 (0.46) RORCGPR119
SCHEMBL24676945 0.80 RORC (0.38) RORCCCNT1GPR119SYK
SCHEMBL24676003 0.80 CDK4 (0.44) RORCCCNT1
SCHEMBL24676815 0.80 AAK1 (0.35)
SCHEMBL24676473 0.78 RORC (0.35) RORCCCNT1
SCHEMBL24676814 0.72 AAK1 (0.39)
SCHEMBL24676942 0.70 CDK2 (0.43) CCNT1SYK
SCHEMBL24676002 0.69 CDK2 (0.49) CCNT1GPR119DYRK2
SCHEMBL29754964 0.69 CDK2 (0.49) CCNT1GPR119DYRK2
SCHEMBL24676460 0.67 RAB9A (0.31)

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