SCHEMBL27327586

SCHEMBL27327586

COc1cc2ncc(-c3nc(NC4CNCC[C@@H]4F)c(F)cc3F)n2nc1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 11/20 0.48
▸ FLT3 P36888 11/20 0.48
▸ IRAK4 Q9NWZ3 6/20 0.33
▸ CDK7 P50613 4/20 0.33
▸ CCNH P51946 4/20 0.33
▸ IRAK1 P51617 3/20 0.33
▸ PDGFRB P09619 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ RET P07949 1/20 0.33
▸ CCNE1 P24864 3/20 0.32
▸ CDK2 P24941 3/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ CCNK O75909 2/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CDK12 Q9NYV4 2/20 0.32
▸ MNAT1 P51948 2/20 0.32
▸ CHEK2 O96017 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT4 P35916 1/20 0.32

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
SCHEMBL31739545 1.00 NRAS (0.48) NRASFLT3IRAK4CDK7CCNH
SCHEMBL27330282 1.00 NRAS (0.48) NRASFLT3IRAK4CDK7CCNH
SCHEMBL27330294 0.99 NRAS (0.48) NRASFLT3IRAK4CDK7CCNH
SCHEMBL27327749 0.99 NRAS (0.48) NRASFLT3IRAK4CDK7CCNH
SCHEMBL27330372 0.98 NRAS (0.48) NRASFLT3IRAK4CDK7CCNH
SCHEMBL27327754 0.98 NRAS (0.48) NRASFLT3IRAK4CDK7CCNH
SCHEMBL24542245 0.97 FLT3 (0.49) NRASFLT3IRAK4CDK7CCNH
SCHEMBL27332857 0.97 FLT3 (0.49) NRASFLT3IRAK4CDK7CCNH
SCHEMBL31739941 0.94 NRAS (0.44) NRASFLT3
SCHEMBL27329557 0.94 NRAS (0.44) NRASFLT3

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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