SCHEMBL24620591

SCHEMBL24620591

C=C(C)c1c(CC)cccc1Nc1nc(Nc2cc3c(cc2CC)CN(C(C)C)CC3)ncc1C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 12/20 0.46
▸ BTK Q06187 1/20 0.42
▸ ALK Q9UM73 7/20 0.39

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
SCHEMBL24620361 0.85 MAP4K1 (0.53) MAP4K1
SCHEMBL24620447 0.79 BTK (0.40) MAP4K1BTKALK
SCHEMBL24620276 0.73 BTK (0.45) MAP4K1BTKALK
SCHEMBL24620219 0.70 JAK3 (0.34) BTKALK
SCHEMBL24620259 0.69 JAK3 (0.35) BTKALK
SCHEMBL24620202 0.66 MAP4K1 (0.41) MAP4K1BTKALK
SCHEMBL26970255 0.64 MAP4K1 (0.81) MAP4K1
SCHEMBL30689952 0.64 MAP4K1 (0.81) MAP4K1
SCHEMBL24040086 0.63 MAP4K1 (1.00) MAP4K1ALK
SCHEMBL20214722 0.63 MAP4K1 (0.81) MAP4K1ALK

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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