SCHEMBL28577121

SCHEMBL28577121

COCCn1ncc(Nc2ncc(Cl)c(Nc3ccccc3P(C)(C)=O)n2)c1C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.59
INSR P06213 10/20 0.58
IGF1R P08069 10/20 0.58
ALK Q9UM73 10/20 0.58
EGFR P00533 1/20 0.53

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
SCHEMBL26717249 0.82 INSR (0.72) MAP4K1INSRIGF1RALKEGFR
SCHEMBL28564190 0.79 EGFR (0.64) MAP4K1INSRIGF1RALKEGFR
SCHEMBL21557830 0.78 ALK (0.81) MAP4K1INSRIGF1RALKEGFR
SCHEMBL28587037 0.78 PTK2 (0.56) MAP4K1INSRIGF1RALKEGFR
SCHEMBL28996875 0.78 MAP4K1 (0.58) MAP4K1INSRIGF1RALKEGFR
SCHEMBL29833023 0.77 INSR (0.59) MAP4K1INSRIGF1RALKEGFR
SCHEMBL28569396 0.77 ALK (0.64) MAP4K1INSRIGF1RALKEGFR
SCHEMBL4531370 0.76 LRRK2 (0.58) INSRALK
SCHEMBL31229842 0.76 ALK (0.62) MAP4K1INSRIGF1RALKEGFR
SCHEMBL11916544 0.76 ALK (0.78) MAP4K1INSRIGF1RALKEGFR

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
CN-112771032-A Pyrimidine pyrazole compounds as fourth generation EGFR inhibitors 江苏先声药业有限公司 2021-05-07 CN disclosed