SCHEMBL27326929

SCHEMBL27326929

COc1cc2ncc(-c3nc(N[C@@H]4CNC[C@H]4F)c(C)cc3C)n2nc1C1CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 5/20 0.36
▸ FLT3 P36888 5/20 0.36
▸ FYN P06241 2/20 0.30
▸ LCK P06239 1/20 0.30
▸ RET P07949 1/20 0.30
▸ PDGFRB P09619 1/20 0.30
▸ CDK7 P50613 1/20 0.30
▸ IRAK1 P51617 1/20 0.30
▸ CCNH P51946 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 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
SCHEMBL31739697 1.00 NRAS (0.36) NRASFLT3FYNLCKRET
SCHEMBL27329389 1.00 NRAS (0.36) NRASFLT3FYNLCKRET
SCHEMBL27330018 0.93 FLT3 (0.40) NRASFLT3FYNLCKRET
SCHEMBL27327395 0.93 FLT3 (0.40) NRASFLT3FYNLCKRET
SCHEMBL27198235 0.91 NRAS (0.45) NRASFLT3FYNLCKRET
SCHEMBL27331195 0.91 NRAS (0.45) NRASFLT3FYNLCKRET
SCHEMBL27326933 0.89 FLT3 (0.41) NRASFLT3FYNLCKRET
SCHEMBL27329396 0.89 FLT3 (0.41) NRASFLT3FYNLCKRET
SCHEMBL31739830 0.88 FLT3 (0.41) NRASFLT3FYNLCKRET
SCHEMBL27326930 0.88 FLT3 (0.41) NRASFLT3FYNLCKRET

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-2023245123-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-12-21 — — WO disclosed
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