SCHEMBL25030550

SCHEMBL25030550

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 12/20 0.82
▸ PTK6 Q13882 12/20 0.82
▸ SRC P12931 13/20 0.80
▸ FYN P06241 5/20 0.80
▸ KDR P35968 3/20 0.65
▸ PIK3CD O00329 2/20 0.65
▸ EGFR P00533 2/20 0.65
▸ PIK3CA P42336 2/20 0.65
▸ PIK3CG P48736 2/20 0.65
▸ PRKDC P78527 2/20 0.65
▸ BACE1 P56817 1/20 0.65
▸ PI4KB Q9UBF8 1/20 0.65
▸ HCK P08631 7/20 0.65
▸ BLK P51451 5/20 0.65
▸ LCK P06239 5/20 0.65
▸ LYN P07948 4/20 0.65
▸ YES1 P07947 2/20 0.65
▸ FGR P09769 2/20 0.65
▸ FRK P42685 4/20 0.62
▸ KIT P10721 1/20 0.54

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
SCHEMBL30877138 1.00 ABL1 (0.82) ABL1PTK6SRCFYNKDR
SCHEMBL30183417 0.92 ABL1 (0.85) ABL1PTK6SRCFYNKDR
SCHEMBL25030590 0.92 ABL1 (0.85) ABL1PTK6SRCFYNKDR
SCHEMBL18258351 0.90 PTK6 (1.00) ABL1PTK6SRCFYNKDR
SCHEMBL20132566 0.90 ABL1 (1.00) ABL1PTK6SRCFYNKDR
SCHEMBL18258365 0.89 SRC (1.00) ABL1PTK6SRCFYNKDR
SCHEMBL29381545 0.89 ABL1 (1.00) ABL1PTK6SRCFYNKDR
SCHEMBL18258375 0.89 ABL1 (1.00) ABL1PTK6SRCFYNKDR
SCHEMBL26148156 0.89 ABL1 (0.92) ABL1PTK6SRCFYNKDR
SCHEMBL18258331 0.88 ABL1 (1.00) ABL1PTK6SRCFYNKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117957229-A Tyrosine kinase inhibitors 爱丁堡大学理事会 2024-04-30 — — CN disclosed
WO-2023017264-A1 TYROSINE KINASE INHIBITORS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2023-02-16 — — WO disclosed
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