SCHEMBL25870258

SCHEMBL25870258

COc1cc2c(cc1NC(=O)c1cccc(C(F)(F)F)n1)CN(C(C)C)C2=O

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 19/20 0.53
FLT3 P36888 2/20 0.51
ACKR3 P25106 1/20 0.49

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
SCHEMBL25870256 0.88 IRAK4 (0.55) IRAK4
SCHEMBL24606912 0.84 IRAK4 (0.53) IRAK4FLT3
SCHEMBL22849199 0.83 IRAK4 (0.55) IRAK4FLT3
SCHEMBL22849657 0.83 IRAK4 (0.55) IRAK4FLT3
SCHEMBL26355460 0.83 IRAK4 (0.55) IRAK4FLT3
SCHEMBL22835098 0.81 IRAK4 (0.54) IRAK4FLT3
SCHEMBL22835100 0.81 IRAK4 (0.53) IRAK4FLT3
SCHEMBL29502411 0.81 IRAK4 (0.54) IRAK4FLT3
SCHEMBL29502407 0.81 IRAK4 (0.53) IRAK4FLT3
SCHEMBL22835097 0.81 IRAK4 (0.54) IRAK4FLT3

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-2023116920-A1 PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed