SCHEMBL30698345

SCHEMBL30698345

COc1cc2ncc(-c3ccc(F)c(Cl)n3)n2nc1C(C)(C)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 16/20 0.40
▸ RIPK2 O43353 2/20 0.36
▸ TNF P01375 1/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ DYRK2 Q92630 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35

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
SCHEMBL30698330 0.84 RIPK2 (0.37) FYNRIPK2DYRK3CCNT1CDK9
SCHEMBL31000288 0.83 DYRK1A (0.43) FYNRIPK2DYRK3CCNT1CDK9
SCHEMBL24542626 0.78 DYRK1A (0.38) FYNRIPK2DYRK3CCNT1CDK9
SCHEMBL29682996 0.78 DYRK1A (0.38) FYNRIPK2DYRK3CCNT1CDK9
SCHEMBL24542580 0.77 FYN (0.35) FYNRIPK2DYRK3CCNT1CDK9
SCHEMBL31639298 0.77 GABRA1 (0.35) FYNRIPK2
SCHEMBL31739827 0.77 FLT3 (0.35) FYNTNF
SCHEMBL27329570 0.77 FLT3 (0.35) FYNTNF
SCHEMBL27327086 0.77 FLT3 (0.35) FYNTNF
SCHEMBL27330371 0.75 NRAS (0.46) —

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-4540248-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-04-23 — — EP disclosed
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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