SCHEMBL26148156

SCHEMBL26148156

COc1cc(-c2nn(CCN3CCC(N(C)C4CC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 14/20 0.92
▸ SRC P12931 14/20 0.92
▸ PTK6 Q13882 12/20 0.92
▸ FYN P06241 8/20 0.92
▸ HCK P08631 6/20 0.75
▸ BLK P51451 6/20 0.75
▸ LYN P07948 6/20 0.75
▸ LCK P06239 6/20 0.75
▸ YES1 P07947 5/20 0.75
▸ FGR P09769 5/20 0.75
▸ FRK P42685 6/20 0.72
▸ KIT P10721 1/20 0.63
▸ KDR P35968 2/20 0.63
▸ PIK3CD O00329 1/20 0.63
▸ EGFR P00533 1/20 0.63
▸ PIK3CA P42336 1/20 0.63
▸ PIK3CG P48736 1/20 0.63
▸ BACE1 P56817 1/20 0.63
▸ PRKDC P78527 1/20 0.63
▸ PI4KB Q9UBF8 1/20 0.63

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
SCHEMBL29381545 0.96 ABL1 (1.00) ABL1SRCPTK6FYNHCK
SCHEMBL18258375 0.96 ABL1 (1.00) ABL1SRCPTK6FYNHCK
Fumaric Acid SCHEMBL31543001 0.92 SRC (0.92) ABL1SRCPTK6FYNHCK
SCHEMBL18258331 0.92 ABL1 (1.00) ABL1SRCPTK6FYNHCK
SCHEMBL18258351 0.91 PTK6 (1.00) ABL1SRCPTK6FYNHCK
SCHEMBL18258328 0.91 ABL1 (0.91) ABL1SRCPTK6FYNHCK
SCHEMBL25030590 0.91 ABL1 (0.85) ABL1SRCPTK6FYNHCK
SCHEMBL30183417 0.91 ABL1 (0.85) ABL1SRCPTK6FYNHCK
SCHEMBL20132566 0.89 ABL1 (1.00) ABL1SRCPTK6FYNHCK
SCHEMBL18258370 0.89 SRC (0.85) ABL1SRCPTK6FYNHCK

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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