SCHEMBL20674136

SCHEMBL20674136

CSc1ncc2cc(-c3ccccc3Cl)c(=O)n([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.50
TNF P01375 3/20 0.43
LITAF Q99732 3/20 0.43
EGFR P00533 4/20 0.41
SRC P12931 3/20 0.41
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40
USP30 Q70CQ3 1/20 0.39
ABL1 P00519 2/20 0.39
ABL2 P42684 2/20 0.39
DGAT2 Q96PD7 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LCK P06239 1/20 0.38
MAPK14 Q16539 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
SCHEMBL29785409 1.00 PIK3CA (0.50) PIK3CATNFLITAFEGFRSRC
SCHEMBL29785435 0.88 PIK3CA (0.51) PIK3CATNFLITAFEGFRSRC
SCHEMBL20674135 0.88 PIK3CA (0.51) PIK3CATNFLITAFEGFRSRC
SCHEMBL16414948 0.85 PIK3CA (0.49) PIK3CATNFLITAF
SCHEMBL16246123 0.82 FGFR1 (0.49) SRC
SCHEMBL24080467 0.80 FGFR4 (0.48) PIK3CATNFLITAF
SCHEMBL20733924 0.80 PIK3CA (0.44) PIK3CATNFLITAF
SCHEMBL4088961 0.80 PIK3CA (0.44) PIK3CATNFLITAFEGFRCNR1
SCHEMBL4151029 0.80 PIK3CA (0.39) PIK3CAEGFRSRCMAPK14
SCHEMBL4147585 0.79 PIK3CA (0.38) PIK3CAEGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914267-B Pyrimidopyridone or pyridopyridone compound and application thereof 江苏奥赛康药业有限公司 2022-07-12 CN disclosed
CN-110914267-A Pyrimidopyridone or pyridopyridone compound and application thereof 江苏奥赛康药业有限公司 2020-03-24 CN disclosed
WO-2019015593-A1 PYRIMIDOPYRIDONE OR PYRIDOPYRIDONE COMPOUND AND USE THEREOF 江苏奥赛康药业股份有限公司 2019-01-24 WO disclosed