SCHEMBL24620202

SCHEMBL24620202

C=C1NCc2cccc(Nc3nc(Nc4cc5c(cc4CC)CCNCC5)ncc3C)c21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.41
▸ ALK Q9UM73 10/20 0.39
▸ INSR P06213 2/20 0.39
▸ BTK Q06187 3/20 0.38
▸ EGFR P00533 1/20 0.38
▸ MET P08581 1/20 0.37
▸ AXL P30530 1/20 0.36
▸ TYRO3 Q06418 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ PKMYT1 Q99640 1/20 0.35

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
SCHEMBL24620485 0.87 BTK (0.47) MAP4K1ALKBTKAXLTYRO3
SCHEMBL24620351 0.85 MAP4K1 (0.51) MAP4K1ALKBTKEGFR
SCHEMBL24620455 0.77 MAP4K1 (0.51) MAP4K1ALKBTKAXLTYRO3
SCHEMBL24620240 0.77 MAP4K1 (0.54) MAP4K1
SCHEMBL24620199 0.76 IGF1R (0.34) IGF1RPKMYT1
SCHEMBL24620227 0.76 MAP4K1 (0.54) MAP4K1ALKINSR
SCHEMBL24620276 0.76 BTK (0.45) MAP4K1ALKBTK
SCHEMBL24620447 0.76 BTK (0.40) MAP4K1ALKINSRBTKEGFR
SCHEMBL24620488 0.75 MAP4K1 (0.42) MAP4K1ALKBTK
SCHEMBL24620230 0.72 MAP4K1 (0.54) MAP4K1ALKMETAXL

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
Send feedback