SCHEMBL25839068

SCHEMBL25839068

CC(C)(C)c1cnc2[nH]cc(C(F)(F)F)c2n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
HSP90AB1 P08238 1/20 0.32
SYK P43405 3/20 0.32
MAP3K12 Q12852 3/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
JAK3 P52333 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ULK1 O75385 2/20 0.30

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
SCHEMBL22201891 0.88 MAPK1 (0.35) MAPK1SYKJAK2JAK1JAK3
SCHEMBL24370189 0.80 SYK (0.36) MAPK1HSP90AB1SYKMAP3K12JAK2
SCHEMBL24126326 0.75 IRAK4 (0.30) IRAK4
SCHEMBL22201885 0.71 SYK (0.39) MAPK1SYKJAK2JAK1JAK3
SCHEMBL22822417 0.70 SYK (0.49) SYKJAK2JAK1JAK3
SCHEMBL18352331 0.68 JAK2 (0.34) MAPK1SYKJAK2JAK1JAK3
SCHEMBL19754801 0.68 PRMT5 (0.41) MAP3K12
SCHEMBL22822285 0.67 MAPK1 (0.61) MAPK1JAK3
SCHEMBL31229811 0.67 CYP11B1 (0.35) HSP90AB1
SCHEMBL20043290 0.67 MET (0.34)

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed