SCHEMBL30864339

SCHEMBL30864339

COc1cc2ncncc2cc1OCCCCl

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FGFR4 P22455 1/20 0.46
EGFR P00533 3/20 0.45
PDGFRB P09619 11/20 0.41
PDGFRA P16234 11/20 0.41

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
SCHEMBL5678927 1.00 ENPP1 (0.48) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
Hydrochloric Acid SCHEMBL27988052 0.99 ENPP1 (0.47) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL5682691 0.94 ENPP1 (0.48) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL30000368 0.88 EGFR (0.45) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL30001048 0.88 EGFR (0.45) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL30001229 0.88 EGFR (0.45) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL6000263 0.87 EGFR (0.46) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL30000483 0.87 ENPP1 (0.59) ENPP1KDM4EALDH1A1SMN1; SMN2FGFR4
SCHEMBL241727 0.86 EGFR (0.58) KDM4EALDH1A1SMN1; SMN2FGFR4EGFR
Hydrochloric Acid SCHEMBL8814048 0.84 EGFR (0.56) KDM4EALDH1A1SMN1; SMN2FGFR4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903068-A Preparation method of gefitinib 山东新时代药业有限公司 2024-04-19 CN disclosed