SCHEMBL31000128

SCHEMBL31000128

COc1cc2ncc(-c3nc(Br)ncc3F)n2nc1C1CC(F)(F)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ FYN P06241 2/20 0.31
▸ NRAS P01111 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31

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
SCHEMBL31000231 0.90 NRAS (0.34) IGF1RCDK2FYNNRASFLT3
SCHEMBL31000211 0.87 IGF1R (0.32) IGF1RCDK2FYNNRASFLT3
SCHEMBL30698348 0.80 PIK3CA (0.33) FYNNRASFLT3PIK3CAMTOR
SCHEMBL31000236 0.79 FYN (0.32) FYN
SCHEMBL31000279 0.79 FYN (0.35) IGF1RCDK2FYNPIK3CAMTOR
SCHEMBL31000261 0.78 IGF1R (0.38) IGF1RCDK2
SCHEMBL31639175 0.78 NRAS (0.36) IGF1RCDK2FYNNRASFLT3
SCHEMBL31000244 0.78 TRPC6 (0.31) —
SCHEMBL31000256 0.76 FYN (0.34) IGF1RCDK2FYNPIK3CAMTOR
SCHEMBL31000302 0.76 FYN (0.33) FYNNRASFLT3PIK3CAMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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