SCHEMBL30002430

SCHEMBL30002430

COCCOc1cc(F)c(N)cc1OCc1c(OC)ccc(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.38
KDR P35968 5/20 0.37
FLT1 P17948 4/20 0.37
FGFR1 P11362 3/20 0.37
EGFR P00533 2/20 0.37
FLT4 P35916 1/20 0.37
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36
CACNA1C Q13936 1/20 0.35
ANO1 Q5XXA6 1/20 0.33
PDE4D Q08499 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
KIT P10721 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
SCHEMBL13577269 0.96 FLT1 (0.39) GNRHRKDRFLT1FGFR1EGFR
SCHEMBL4301135 0.91 GNRHR (0.43) GNRHRCACNA1CPDE4DHTR2AHTR2C
SCHEMBL30002533 0.91 GNRHR (0.43) GNRHRCACNA1CPDE4DHTR2AHTR2C
Hydrochloric Acid SCHEMBL30425693 0.90 GNRHR (0.43) GNRHRCACNA1CPDE4DHTR2AHTR2C
Hydrochloric Acid SCHEMBL3100373 0.90 GNRHR (0.43) GNRHRCACNA1CPDE4DHTR2AHTR2C
SCHEMBL10300231 0.89 FLT1 (0.39) GNRHRKDRFLT1FGFR1EGFR
SCHEMBL28892183 0.89 CACNA1C (0.39) GNRHREGFRCACNA1CPDE4DPDE4A
SCHEMBL13577276 0.89 GNRHR (0.39) GNRHRKDRFLT1FGFR1EGFR
SCHEMBL13577264 0.88 MAPT (0.43) GNRHRCACNA1CPDE4DPDE4APDE4B
SCHEMBL13577279 0.86 MAPT (0.37) GNRHRCACNA1CPDE4DHTR2APDE4A

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed