SCHEMBL24620315

SCHEMBL24620315

O=C1NCc2cccc(Nc3nc(Nc4ccc(N5CCCNCC5)cc4OC(F)F)ncc3Cl)c21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK3 P27361 1/20 0.63
▸ ALK Q9UM73 15/20 0.60
▸ EGFR P00533 4/20 0.52
▸ INSR P06213 1/20 0.46
▸ IGF1R P08069 1/20 0.46

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
SCHEMBL29791417 1.00 MAPK3 (0.63) MAPK3ALKEGFRINSRIGF1R
SCHEMBL24620313 0.97 MAPK3 (0.66) MAPK3ALKEGFR
SCHEMBL30833043 0.97 MAPK3 (0.66) MAPK3ALKEGFR
SCHEMBL29791388 0.91 ALK (0.58) MAPK3ALKEGFR
SCHEMBL24620195 0.91 ALK (0.58) MAPK3ALKEGFR
SCHEMBL24620280 0.90 EGFR (0.60) MAPK3ALKEGFRINSRIGF1R
SCHEMBL30833035 0.90 EGFR (0.60) MAPK3ALKEGFRINSRIGF1R
SCHEMBL24620266 0.90 ALK (0.62) MAPK3ALKEGFR
SCHEMBL30833027 0.90 ALK (0.62) MAPK3ALKEGFR
SCHEMBL24620228 0.90 ALK (0.63) MAPK3ALK

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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