SCHEMBL31639296

SCHEMBL31639296

COc1cc2nc(C)c(-c3ccc(F)c(N[C@@H]4CCCNC4)n3)n2nc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 7/20 0.40
▸ CDK2 P24941 6/20 0.40
▸ NRAS P01111 4/20 0.39
▸ FLT3 P36888 3/20 0.38
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ EHMT2 Q96KQ7 4/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ CDK7 P50613 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CHEK2 O96017 1/20 0.34

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
SCHEMBL31639399 0.90 CDK2 (0.37) MAPKAPK2CDK2NRASFLT3IRAK4
SCHEMBL27327575 0.85 NRAS (0.47) MAPKAPK2CDK2NRASFLT3IRAK4
SCHEMBL27330143 0.85 NRAS (0.47) MAPKAPK2CDK2NRASFLT3IRAK4
SCHEMBL31639223 0.79 KMT2A (0.43) —
SCHEMBL24542246 0.78 NRAS (0.56) MAPKAPK2CDK2NRASFLT3IRAK4
SCHEMBL27327398 0.78 NRAS (0.48) NRASFLT3IRAK4CHEK1BRD4
SCHEMBL27198198 0.78 NRAS (0.56) MAPKAPK2CDK2NRASFLT3IRAK4
SCHEMBL27330021 0.78 NRAS (0.48) NRASFLT3IRAK4CHEK1BRD4
SCHEMBL31639441 0.78 SMPD3 (0.34) —
SCHEMBL27330138 0.77 NRAS (0.49) NRASFLT3IRAK4CHEK1CDK7

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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