SCHEMBL29029933

SCHEMBL29029933

COc1ccc(Cn2ncc(NC(C)COC(C)C(=O)O)c(C(F)(F)F)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 13/20 0.46
▸ MCHR1 Q99705 1/20 0.40
▸ RAF1 P04049 3/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ MET P08581 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MAPK8 P45983 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
SCHEMBL24467751 1.00 NPBWR1 (0.46) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL29029942 0.91 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24687647 0.90 NPBWR1 (0.49) NPBWR1MCHR1RAF1AKR1C3
SCHEMBL29029951 0.90 NPBWR1 (0.43) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24467802 0.90 NPBWR1 (0.43) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL24687640 0.88 NPBWR1 (0.51) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL26914971 0.88 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL23304681 0.88 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL23304685 0.88 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2
SCHEMBL26915081 0.88 NPBWR1 (0.44) NPBWR1MCHR1RAF1CCNB2CCNE2

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-116157396-A Pyridazinone derivatives and their use in medicine 成都百裕制药股份有限公司 2023-05-23 — — CN disclosed
WO-2022111700-A1 PYRIDAZINONE DERIVATIVES AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2022-06-02 — — WO disclosed
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