SCHEMBL29780932

SCHEMBL29780932

[2H]c1ncnc2c1c(-c1ccc(N)cc1)nn2C1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 16/20 0.42
▸ MERTK Q12866 1/20 0.36
▸ BTK Q06187 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ LYN P07948 1/20 0.34
▸ PIK3CD O00329 15/20 0.33
▸ PIK3CA P42336 15/20 0.33
▸ PIK3CB P42338 15/20 0.33
▸ PIK3CG P48736 15/20 0.33
▸ PRKDC P78527 15/20 0.33
▸ ABL1 P00519 14/20 0.33
▸ HCK P08631 14/20 0.33
▸ SRC P12931 14/20 0.33
▸ KDR P35968 14/20 0.33
▸ MTOR P42345 14/20 0.33
▸ EPHB4 P54760 14/20 0.33
▸ PI4KB Q9UBF8 9/20 0.33
▸ NUDT14 O95848 1/20 0.32
▸ NUDT5 Q9UKK9 1/20 0.32

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
SCHEMBL30136522 0.82 KDR (0.37) EGFRMERTKBTKLCKLYN
SCHEMBL30513264 0.80 EGFR (0.59) EGFRBTKLCKLYNPIK3CD
SCHEMBL29780934 0.71 EGFR (0.37) EGFRBTKLCKPIK3CDPIK3CA
SCHEMBL16752366 0.70 CDC7 (0.36) EGFRLCKPIK3CDPIK3CASRC
SCHEMBL5805229 0.69 BTK (0.75) EGFRBTKLCKLYNABL1
SCHEMBL5823929 0.67 BTK (0.61) EGFRBTKLCKLYNPIK3CD
SCHEMBL29780867 0.66 PIK3CD (0.38) EGFRBTKPIK3CDPIK3CAPIK3CB
SCHEMBL22720779 0.65 BTK (0.70) EGFRBTKLCKLYNABL1
SCHEMBL29439195 0.65 BTK (0.70) EGFRBTKLCKLYNABL1
SCHEMBL24096496 0.65 PIK3CD (0.61) EGFRBTKLCKLYNPIK3CD

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-2022166610-A1 PYRIDAZINONE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-08-11 — — WO disclosed
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