SCHEMBL28876189

SCHEMBL28876189

COc1cc(OC)cc(N(CCCl)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 20/20 0.84
KDR P35968 20/20 0.84
FGFR1 P11362 19/20 0.82
FGFR2 P21802 19/20 0.82
FGFR4 P22455 19/20 0.82
FLT3 P36888 4/20 0.82
ADORA3 P0DMS8 1/20 0.79
CHRM1 P11229 1/20 0.79
ADRA2C P18825 1/20 0.79
SLC6A2 P23975 1/20 0.79
SLC6A4 P31645 1/20 0.79
DRD3 P35462 1/20 0.79
OPRD1 P41143 1/20 0.79
ETV6 P41212 1/20 0.79
HTR2B P41595 1/20 0.79
SLC6A3 Q01959 1/20 0.79
PDE4D Q08499 1/20 0.79

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
SCHEMBL29834956 1.00 FGFR3 (0.84) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178338 0.95 FGFR3 (0.84) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178567 0.94 FGFR3 (0.85) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178255 0.91 FGFR3 (1.00) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL29834957 0.90 FGFR3 (1.00) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178827 0.90 FGFR3 (1.00) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178817 0.90 FGFR3 (0.84) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL2581586 0.90 FGFR3 (1.00) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178278 0.90 FGFR3 (1.00) FGFR3KDRFGFR1FGFR2FGFR4
SCHEMBL12178981 0.90 FGFR3 (1.00) FGFR3KDRFGFR1FGFR2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108926-B Intermediate compound for preparing erdasatinib and preparation method 上海工程技术大学 2023-06-20 CN claimed
CN-115108926-A Intermediate compound for preparing erdastinib and preparation method 上海工程技术大学 2022-09-27 CN claimed
CN-115108926-B Intermediate compound for preparing erdasatinib and preparation method 上海工程技术大学 2023-06-20 CN disclosed
CN-115108926-B Intermediate compound for preparing erdasatinib and preparation method 上海工程技术大学 2023-06-20 CN disclosed
CN-115108926-A Intermediate compound for preparing erdastinib and preparation method 上海工程技术大学 2022-09-27 CN disclosed
CN-115108926-A Intermediate compound for preparing erdastinib and preparation method 上海工程技术大学 2022-09-27 CN disclosed