SCHEMBL27327582

SCHEMBL27327582

COc1cc2ncc(-c3nc(N)c(F)cc3F)n2nc1C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NRAS P01111 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ TNK2 Q07912 7/20 0.34
▸ TRPC6 Q9Y210 3/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ PIK3CD O00329 3/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ EGFR P00533 3/20 0.32
▸ HCK P08631 3/20 0.32
▸ SRC P12931 3/20 0.32
▸ KDR P35968 3/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CB P42338 3/20 0.32
▸ MTOR P42345 3/20 0.32
▸ PIK3CG P48736 3/20 0.32
▸ EPHB4 P54760 3/20 0.32
▸ PRKDC P78527 3/20 0.32
▸ PI4KB Q9UBF8 3/20 0.32
▸ FYN P06241 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
SCHEMBL27332713 0.96 NRAS (0.36) NRASFLT3TNK2TRPC6FYN
SCHEMBL31639175 0.83 NRAS (0.36) NRASFLT3TRPC6PIK3CAMTOR
SCHEMBL31000231 0.79 NRAS (0.34) NRASFLT3TRPC6PIK3CAMTOR
SCHEMBL27327563 0.79 NRAS (0.33) NRASFLT3PIK3CAFYN
SCHEMBL31739941 0.79 NRAS (0.44) NRASFLT3
SCHEMBL31740008 0.79 NRAS (0.55) NRASFLT3PDGFRBPDGFRAABL1
SCHEMBL27326957 0.79 NRAS (0.44) NRASFLT3
SCHEMBL27330153 0.79 NRAS (0.55) NRASFLT3PDGFRBPDGFRAABL1
SCHEMBL27329557 0.79 NRAS (0.44) NRASFLT3
SCHEMBL31739826 0.78 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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