SCHEMBL24620455

SCHEMBL24620455

C=C1NCc2cccc(Nc3nc(Nc4cc5c(cc4C)CCNC5)ncc3C(F)(F)F)c21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.51
▸ BTK Q06187 6/20 0.43
▸ ULK1 O75385 3/20 0.43
▸ MAPK3 P27361 3/20 0.42
▸ ALK Q9UM73 4/20 0.40
▸ AXL P30530 2/20 0.40
▸ TYRO3 Q06418 2/20 0.40
▸ MERTK Q12866 2/20 0.40

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 0.90 BTK (0.47) MAP4K1BTKALKAXLTYRO3
SCHEMBL24620351 0.90 MAP4K1 (0.51) MAP4K1BTKULK1ALK
SCHEMBL24620188 0.86 MAP4K1 (0.56) MAP4K1ULK1
SCHEMBL24620264 0.86 MAP4K1 (0.56) MAP4K1ULK1
SCHEMBL24620193 0.81 MAP4K1 (0.56) MAP4K1ULK1ALKAXLTYRO3
SCHEMBL24620173 0.81 ALK (0.52) MAP4K1BTKALK
SCHEMBL24620306 0.81 ALK (0.52) MAP4K1BTKALK
SCHEMBL24620221 0.77 MAP4K1 (0.53) MAP4K1BTKALK
SCHEMBL24620202 0.77 MAP4K1 (0.41) MAP4K1BTKALKAXLTYRO3
SCHEMBL24620574 0.76 ULK1 (0.42) ULK1MAPK3ALK

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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