SCHEMBL29781045

SCHEMBL29781045

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.57
▸ SRC P12931 8/20 0.56
▸ 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
▸ CYP3A4 P08684 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PIK3CD O00329 6/20 0.52
▸ PRKDC P78527 6/20 0.52
▸ PIK3CA P42336 5/20 0.52
▸ PIK3CB P42338 5/20 0.52
▸ PIK3CG P48736 5/20 0.52
▸ FYN P06241 7/20 0.52
▸ LYN P07948 3/20 0.52
▸ ABL1 P00519 4/20 0.50

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
SCHEMBL29052195 0.86 SRC (0.59) BTKSRCYES1FGRCYP1A2
SCHEMBL29781148 0.86 SRC (0.59) BTKSRCYES1FGRCYP1A2
SCHEMBL29780889 0.86 SRC (0.64) BTKSRCYES1FGRCYP1A2
SCHEMBL1320126 0.84 SRC (0.55) BTKSRCYES1FGRCYP1A2
SCHEMBL29781037 0.83 CYP1A2 (0.64) BTKSRCYES1FGRCYP1A2
SCHEMBL29781043 0.83 FYN (0.61) BTKSRCYES1FGRCYP1A2
SCHEMBL29052189 0.82 SRC (0.55) BTKSRCYES1FGRCYP1A2
SCHEMBL29781082 0.82 SRC (0.55) BTKSRCYES1FGRCYP1A2
SCHEMBL23997157 0.80 CYP1A2 (0.83) BTKSRCYES1FGRCYP1A2
SCHEMBL29781002 0.80 FYN (0.66) BTKSRCCYP1A2MAPK1KDM4E

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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