SCHEMBL31000231

SCHEMBL31000231

COc1cc2ncc(-c3nc(Br)ncc3F)n2nc1C1CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ FYN P06241 12/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ MAP3K7 O43318 1/20 0.32
▸ TAB1 Q15750 1/20 0.32
▸ ACVR1 Q04771 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ TRPC6 Q9Y210 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
SCHEMBL31000211 0.91 IGF1R (0.32) NRASFLT3FYNIGF1RCDK2
SCHEMBL31000128 0.90 IGF1R (0.32) NRASFLT3FYNIGF1RCDK2
SCHEMBL31639175 0.87 NRAS (0.36) NRASFLT3FYNIGF1RCDK2
SCHEMBL31000261 0.87 IGF1R (0.38) IGF1RCDK2
SCHEMBL27332713 0.83 NRAS (0.36) NRASFLT3FYNTRPC6
SCHEMBL31000279 0.82 FYN (0.35) FYNIGF1RCDK2PIK3CAMTOR
SCHEMBL31639411 0.81 NRAS (0.31) NRASFLT3FYN
SCHEMBL31000256 0.80 FYN (0.34) FYNIGF1RCDK2PIK3CAMTOR
SCHEMBL27327582 0.79 NRAS (0.35) NRASFLT3FYNPIK3CAMTOR
SCHEMBL31639512 0.79 PDE4D (0.33) NRASFLT3FYNPDE4D

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
Send feedback