SCHEMBL24620268

SCHEMBL24620268

CCN1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(Nc4cccc5c4C(=O)NC5)n3)c(OC(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 16/20 0.61
▸ EGFR P00533 3/20 0.54
▸ ULK1 O75385 1/20 0.48

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
SCHEMBL30833018 1.00 ALK (0.61) ALKEGFRULK1
SCHEMBL24620572 0.94 ALK (0.54) ALKEGFR
SCHEMBL29791402 0.94 ALK (0.54) ALKEGFR
SCHEMBL30833032 0.93 ALK (0.64) ALKEGFRULK1
SCHEMBL24620233 0.93 ALK (0.64) ALKEGFRULK1
SCHEMBL24620370 0.90 ALK (0.61) ALKEGFRULK1
SCHEMBL30833050 0.90 ALK (0.61) ALKEGFRULK1
SCHEMBL24620357 0.90 EGFR (0.63) ALKEGFRULK1
SCHEMBL24620195 0.88 ALK (0.58) ALKEGFRULK1
SCHEMBL29791388 0.88 ALK (0.58) ALKEGFRULK1

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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