SCHEMBL29780889

SCHEMBL29780889

Nc1ccc(-c2nn(CCO)c3ncnc(N)c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 9/20 0.64
▸ PIK3CD O00329 6/20 0.64
▸ PRKDC P78527 5/20 0.64
▸ PIK3CA P42336 4/20 0.64
▸ PIK3CB P42338 4/20 0.64
▸ PIK3CG P48736 4/20 0.64
▸ ABL1 P00519 3/20 0.64
▸ EGFR P00533 2/20 0.64
▸ HCK P08631 2/20 0.64
▸ KDR P35968 2/20 0.64
▸ MTOR P42345 2/20 0.64
▸ EPHB4 P54760 2/20 0.64
▸ PI4KB Q9UBF8 1/20 0.64
▸ BTK Q06187 1/20 0.57
▸ YES1 P07947 3/20 0.56
▸ FGR P09769 3/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL1320126 0.92 SRC (0.55) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29781045 0.86 BTK (0.57) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29781148 0.86 SRC (0.59) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29052195 0.86 SRC (0.59) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL24096755 0.83 PIK3CD (0.62) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29999077 0.83 PIK3CD (0.62) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29052189 0.82 SRC (0.55) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL29781082 0.82 SRC (0.55) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL24096881 0.81 CYP1A2 (0.68) SRCPIK3CDPRKDCPIK3CAPIK3CB
SCHEMBL23997157 0.80 CYP1A2 (0.83) SRCPIK3CDPRKDCPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583287-A Pyridazinone heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-08-11 — — CN disclosed
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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