SCHEMBL31639610

SCHEMBL31639610

COc1cc2ncc(-c3nc(N[C@H]4CNCC[C@@H]4F)c(C#N)cc3F)n2nc1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 3/20 0.39
▸ FLT3 P36888 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.35
▸ TBK1 Q9UHD2 6/20 0.34
▸ LRRK2 Q5S007 5/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ FYN P06241 2/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.32
▸ EHMT1 Q9H9B1 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32

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
SCHEMBL31639195 0.92 FLT3 (0.46) NRASFLT3LRRK2IRAK4FYN
SCHEMBL31639304 0.87 NRAS (0.39) NRASFLT3LRRK2IRAK4FYN
SCHEMBL31639307 0.83 TBK1 (0.38) ALDH1A1TBK1LRRK2EHMT2
SCHEMBL31639312 0.79 ALDH1A1 (0.41) ALDH1A1LRRK2EGLN2
SCHEMBL31639320 0.79 ALDH1A1 (0.41) ALDH1A1LRRK2EGLN2
SCHEMBL31000306 0.79 GAA (0.40) NRASFLT3LRRK2FYN
SCHEMBL27327910 0.77 FLT3 (0.47) NRASFLT3IRAK4FYN
SCHEMBL27330272 0.77 FLT3 (0.47) NRASFLT3IRAK4FYN
SCHEMBL30698276 0.77 FLT3 (0.47) NRASFLT3IRAK4FYN
SCHEMBL27327583 0.77 FLT3 (0.47) NRASFLT3IRAK4FYN

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-2025137567-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-06-26 — — WO disclosed
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