SCHEMBL27327915

SCHEMBL27327915

COc1cc2ncc(-c3ccc(C#N)c(N[C@H]4CNCC[C@@H]4F)n3)n2nc1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 14/20 0.46
▸ NRAS P01111 11/20 0.46
▸ IRAK1 P51617 3/20 0.36
▸ PDGFRB P09619 2/20 0.36
▸ CDK7 P50613 2/20 0.36
▸ CCNH P51946 2/20 0.36
▸ IRAK4 Q9NWZ3 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ RET P07949 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ KDR P35968 4/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FLT4 P35916 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
SCHEMBL31739845 1.00 FLT3 (0.46) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27331052 0.94 FLT3 (0.42) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL30698339 0.94 FLT3 (0.42) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27327095 0.94 FLT3 (0.42) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27327562 0.91 FLT3 (0.42) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27330147 0.91 FLT3 (0.42) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27327394 0.89 FLT3 (0.41) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27327565 0.89 FLT3 (0.41) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27329940 0.89 FLT3 (0.41) FLT3NRASIRAK1PDGFRBCDK7
SCHEMBL27330136 0.89 FLT3 (0.41) FLT3NRASIRAK1PDGFRBCDK7

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-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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