SCHEMBL30864338

SCHEMBL30864338

COc1cc2ncnc(Cl)c2cc1OCCCCl

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.79
EGFR P00533 8/20 0.47
KDR P35968 6/20 0.46
MAPK1 P28482 1/20 0.46
FLT1 P17948 2/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
FGFR1 P11362 1/20 0.46
FLT4 P35916 1/20 0.46
SRC P12931 2/20 0.45
PDE1B Q01064 1/20 0.45

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
SCHEMBL31620798 1.00 ENPP1 (0.79) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL1015576 1.00 ENPP1 (0.79) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL1013051 1.00 ENPP1 (0.79) ENPP1EGFRKDRMAPK1FLT1
Hydrochloric Acid SCHEMBL28825385 0.99 ENPP1 (0.77) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL4029922 0.96 ENPP1 (0.77) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL1013021 0.94 ENPP1 (0.79) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL662795 0.94 ENPP1 (0.79) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL1012358 0.94 ENPP1 (0.79) ENPP1EGFRKDRMAPK1FLT1
SCHEMBL8649615 0.90 ENPP1 (0.86) ENPP1EGFRKDRFLT1HDAC3
SCHEMBL16760503 0.90 ENPP1 (0.77) ENPP1EGFRKDRFLT1FGFR1

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