SCHEMBL24620351

SCHEMBL24620351

C=C1NCc2cccc(Nc3nc(Nc4cc5c(cc4CC)CCNC5)ncc3C(F)(F)F)c21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 4/20 0.51
▸ ULK1 O75385 3/20 0.42
▸ ALK Q9UM73 6/20 0.40
▸ PTK2 Q05397 4/20 0.40
▸ BTK Q06187 1/20 0.40
▸ WEE1 P30291 1/20 0.38
▸ EGFR P00533 1/20 0.38

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
SCHEMBL24620455 0.90 MAP4K1 (0.51) MAP4K1ULK1ALKBTK
SCHEMBL24620240 0.87 MAP4K1 (0.54) MAP4K1
SCHEMBL24620202 0.85 MAP4K1 (0.41) MAP4K1ALKBTKEGFR
SCHEMBL24620193 0.81 MAP4K1 (0.56) MAP4K1ULK1ALK
SCHEMBL24620173 0.81 ALK (0.52) MAP4K1ALKBTKEGFR
SCHEMBL24620306 0.81 ALK (0.52) MAP4K1ALKBTKEGFR
SCHEMBL24620485 0.79 BTK (0.47) MAP4K1ALKBTK
SCHEMBL26778400 0.78 MAP4K1 (0.52) MAP4K1ALKPTK2BTKWEE1
SCHEMBL24620221 0.77 MAP4K1 (0.53) MAP4K1ALKBTKEGFR
SCHEMBL24620264 0.77 MAP4K1 (0.56) MAP4K1ULK1

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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