SCHEMBL26148024

SCHEMBL26148024

CC(C)(C)OC(=O)Nc1ccc(-c2nn(CCN3CCC(C#N)CC3)c3ncnc(N)c23)c2c1OCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 10/20 0.58
▸ ABL1 P00519 9/20 0.58
▸ SRC P12931 8/20 0.57
▸ FYN P06241 4/20 0.57
▸ HCK P08631 5/20 0.56
▸ BLK P51451 4/20 0.56
▸ LCK P06239 3/20 0.56
▸ LYN P07948 3/20 0.56
▸ FRK P42685 2/20 0.56
▸ BTK Q06187 8/20 0.46
▸ JAK3 P52333 3/20 0.46
▸ YES1 P07947 2/20 0.46
▸ FGR P09769 2/20 0.46

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
SCHEMBL26148075 0.90 PTK6 (0.72) PTK6ABL1SRCFYNHCK
SCHEMBL26147920 0.90 PTK6 (0.71) PTK6ABL1SRCFYNHCK
SCHEMBL26148016 0.89 PTK6 (0.71) PTK6ABL1SRCFYNHCK
SCHEMBL26148013 0.89 ABL1 (0.66) PTK6ABL1SRCFYNHCK
SCHEMBL26148020 0.89 ABL1 (0.61) PTK6ABL1SRCFYNHCK
SCHEMBL26148021 0.88 ABL1 (0.72) PTK6ABL1SRCFYNHCK
SCHEMBL26148480 0.88 PTK6 (0.65) PTK6ABL1SRCFYNHCK
SCHEMBL26148025 0.88 PTK6 (0.65) PTK6ABL1SRCFYNHCK
SCHEMBL26148022 0.88 ABL1 (0.63) PTK6ABL1SRCFYNHCK
SCHEMBL26148023 0.87 ABL1 (0.61) PTK6ABL1SRCFYNHCK

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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