SCHEMBL24975656

SCHEMBL24975656

COc1cc2ncc(-c3ccnc(N[C@H]4CNC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 9/20 0.37
▸ NRAS P01111 8/20 0.37
▸ MAPK8 P45983 3/20 0.37
▸ MAPK9 P45984 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ JUN P05412 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ IRAK1 P51617 3/20 0.36
▸ PDGFRB P09619 2/20 0.36
▸ CDK7 P50613 2/20 0.36
▸ CCNH P51946 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ RET P07949 1/20 0.36
▸ IGF1R P08069 3/20 0.36
▸ DYRK1A Q13627 3/20 0.35
▸ DYRK1B Q9Y463 3/20 0.35
▸ DYRK3 O43781 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ CCNT1 O60563 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
SCHEMBL31557787 1.00 FLT3 (0.37) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL27362507 0.93 FLT3 (0.41) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL31557816 0.93 FLT3 (0.41) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL24975698 0.93 FLT3 (0.41) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL31000186 0.93 IGF1R (0.34) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL31000214 0.91 MAPK8 (0.36) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL31000099 0.88 IRAK4 (0.38) FLT3NRASMAPK8MAPK9CDK2
SCHEMBL24542224 0.87 FLT3 (0.51) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL31739915 0.87 FLT3 (0.38) FLT3NRASIRAK4IRAK1PDGFRB
SCHEMBL27326950 0.87 FLT3 (0.38) FLT3NRASIRAK4IRAK1PDGFRB

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
WO-2023009833-A9 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-11-23 — — WO disclosed
WO-2023009833-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-02 — — WO disclosed
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