SCHEMBL26148018

SCHEMBL26148018

CN(C)[C@H]1CCN(CCn2nc(-c3ccc(NC(=O)OC(C)(C)C)c4c3OCO4)c3c(N)ncnc32)C1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.66
▸ PTK6 Q13882 11/20 0.66
▸ SRC P12931 11/20 0.66
▸ FYN P06241 6/20 0.66
▸ HCK P08631 5/20 0.64
▸ BLK P51451 5/20 0.64
▸ LCK P06239 5/20 0.64
▸ LYN P07948 5/20 0.64
▸ FRK P42685 5/20 0.64
▸ YES1 P07947 4/20 0.53
▸ FGR P09769 4/20 0.53
▸ BTK Q06187 6/20 0.48
▸ JAK3 P52333 4/20 0.48
▸ RET P07949 2/20 0.48
▸ KIT P10721 1/20 0.45
▸ KCNH2 Q12809 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
SCHEMBL26148019 1.00 ABL1 (0.66) ABL1PTK6SRCFYNHCK
SCHEMBL26147920 0.96 PTK6 (0.71) ABL1PTK6SRCFYNHCK
SCHEMBL26148013 0.93 ABL1 (0.66) ABL1PTK6SRCFYNHCK
SCHEMBL26148066 0.92 ABL1 (0.66) ABL1PTK6SRCFYNHCK
SCHEMBL26148021 0.89 ABL1 (0.72) ABL1PTK6SRCFYNHCK
SCHEMBL26148022 0.89 ABL1 (0.63) ABL1PTK6SRCFYNHCK
SCHEMBL26148075 0.88 PTK6 (0.72) ABL1PTK6SRCFYNHCK
SCHEMBL26148428 0.88 ABL1 (0.59) ABL1PTK6SRCFYNHCK
SCHEMBL26148016 0.87 PTK6 (0.71) ABL1PTK6SRCFYNHCK
SCHEMBL26147924 0.87 SRC (0.58) ABL1PTK6SRCFYNHCK

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
WO-2023083373-A1 COMPOUND USED AS SRC INHIBITOR 微境生物医药科技(上海)有限公司 2023-05-19 — — WO disclosed
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