SCHEMBL31000201

SCHEMBL31000201

FC(F)COc1cc2ncc(-c3cncc(N[C@H]4CNCC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.38
▸ CLK2 P49760 2/20 0.38
▸ CLK3 P49761 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ FLT3 P36888 9/20 0.34
▸ NRAS P01111 8/20 0.34
▸ CDK7 P50613 3/20 0.33
▸ CCNH P51946 3/20 0.33
▸ IRAK1 P51617 3/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CCNT1 O60563 1/20 0.31
▸ CCNK O75909 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ MNAT1 P51948 1/20 0.31
▸ CDK12 Q9NYV4 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
SCHEMBL31000310 0.90 DYRK1A (0.39) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL24975696 0.89 FLT3 (0.42) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL27362503 0.89 FLT3 (0.42) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL27362603 0.89 FLT3 (0.42) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL31000204 0.86 MAPK8 (0.38) FLT3NRASCDK7CCNHIRAK1
SCHEMBL24975723 0.82 DYRK1A (0.39) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL31000136 0.82 PREP (0.34) IRAK4CCNT1
SCHEMBL31000295 0.80 CNR2 (0.35) —
SCHEMBL24975939 0.79 FLT3 (0.45) DYRK1ACLK2CLK3GSK3BFLT3
SCHEMBL27327758 0.79 FLT3 (0.42) DYRK1ACLK2CLK3FLT3NRAS

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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