SCHEMBL31000186

SCHEMBL31000186

COc1cc2ncc(-c3ccnc(N[C@H]4CNC[C@@H]4F)n3)n2nc1C1COC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 1/20 0.34
▸ FLT3 P36888 5/20 0.34
▸ NRAS P01111 4/20 0.34
▸ MAPK8 P45983 3/20 0.34
▸ MAPK9 P45984 2/20 0.34
▸ JUN P05412 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ IRAK4 Q9NWZ3 3/20 0.34
▸ DYRK1A Q13627 3/20 0.33
▸ DYRK3 O43781 2/20 0.33
▸ DYRK2 Q92630 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ IRAK1 P51617 1/20 0.33
▸ CCNH P51946 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33

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
SCHEMBL24975656 0.93 FLT3 (0.37) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL31557787 0.93 FLT3 (0.37) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL31557816 0.86 FLT3 (0.41) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL27362507 0.86 FLT3 (0.41) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL24975698 0.86 FLT3 (0.41) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL31000214 0.84 MAPK8 (0.36) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL31000184 0.83 FLT3 (0.39) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL31000143 0.82 FLT3 (0.41) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL31000120 0.82 IGF1R (0.35) IGF1RFLT3NRASMAPK8MAPK9
SCHEMBL31000202 0.81 FLT3 (0.38) IGF1RFLT3NRASMAPK8MAPK9

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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