SCHEMBL24620230

SCHEMBL24620230

C=C1NCc2cccc(Nc3nc(Nc4cc5c(cc4CC)C(C)(C)CN(C)C5)ncc3Cl)c21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 10/20 0.54
▸ ALK Q9UM73 3/20 0.39
▸ AXL P30530 3/20 0.39
▸ MAP3K7 O43318 1/20 0.39
▸ WEE1 P30291 2/20 0.38
▸ MET P08581 1/20 0.38
▸ SLC2A1 P11166 1/20 0.38

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
SCHEMBL24620229 0.81 MAP4K1 (0.69) MAP4K1ALKMET
SCHEMBL30833042 0.81 MAP4K1 (0.69) MAP4K1ALKMET
SCHEMBL24620227 0.78 MAP4K1 (0.54) MAP4K1ALK
SCHEMBL24620240 0.75 MAP4K1 (0.54) MAP4K1
SCHEMBL24620202 0.72 MAP4K1 (0.41) MAP4K1ALKAXLMET
SCHEMBL20214385 0.70 MAP4K1 (1.00) MAP4K1ALK
SCHEMBL29791374 0.69 AXL (0.63) MAP4K1ALKAXLWEE1MET
SCHEMBL24620281 0.69 AXL (0.63) MAP4K1ALKAXLWEE1MET
SCHEMBL18760005 0.69 ALK (0.76) MAP4K1ALK
SCHEMBL24620351 0.69 MAP4K1 (0.51) MAP4K1ALKWEE1

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-2022147622-A1 ISOINDOLINONE AMINOPYRIMIDINE COMPOUNDS AS INHIBITORS OF NUAK KINASES, COMPOSITIONS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-07-14 — — WO disclosed
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