SCHEMBL30221507

SCHEMBL30221507

COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nc(Nc2cccc([N+](=O)[O-])c2)ncc1C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 17/20 0.76
▸ EGFR P00533 3/20 0.71
▸ GAK O14976 1/20 0.71
▸ FES P07332 1/20 0.71
▸ FER P16591 1/20 0.71
▸ ERBB3 P21860 1/20 0.71
▸ TEC P42680 1/20 0.71
▸ CLK1 P49759 1/20 0.71
▸ JAK3 P52333 1/20 0.71
▸ PTK2 Q05397 1/20 0.71
▸ BTK Q06187 1/20 0.71
▸ TNK1 Q13470 1/20 0.71
▸ MAPK3 P27361 1/20 0.66

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
SCHEMBL30221574 0.89 ALK (0.82) ALKEGFRGAKFESFER
SCHEMBL29229023 0.88 ALK (0.81) ALKEGFRGAKFESFER
SCHEMBL30221516 0.88 ALK (0.81) ALKEGFRGAKFESFER
SCHEMBL16772120 0.87 ALK (1.00) ALKMAPK3
SCHEMBL17531020 0.87 ALK (0.83) ALKEGFRGAKFESFER
SCHEMBL24900774 0.86 ALK (0.77) ALKEGFRGAKFESFER
SCHEMBL30221331 0.86 EGFR (0.94) ALKEGFRGAKFESFER
SCHEMBL30221523 0.86 ALK (0.77) ALKEGFRGAKFESFER
SCHEMBL24900776 0.86 EGFR (0.94) ALKEGFRGAKFESFER
SCHEMBL17530373 0.85 EGFR (0.86) ALKEGFRGAKFESFER

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-2023287783-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF ACEA Therapeutics, Inc. (US) 2023-01-19 — — WO disclosed
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