SCHEMBL26148157

SCHEMBL26148157

COc1cc(-c2nn(CCN3CCC(N(C)C)CC3)c3ncnc(N)c23)ccc1NC(=O)OC1CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 15/20 0.83
▸ SRC P12931 15/20 0.83
▸ PTK6 Q13882 12/20 0.83
▸ FYN P06241 8/20 0.83
▸ HCK P08631 7/20 0.78
▸ LYN P07948 6/20 0.78
▸ BLK P51451 6/20 0.78
▸ LCK P06239 6/20 0.78
▸ YES1 P07947 5/20 0.78
▸ FGR P09769 5/20 0.78
▸ FRK P42685 6/20 0.70
▸ KIT P10721 1/20 0.70
▸ RET P07949 2/20 0.61
▸ FGFR1 P11362 1/20 0.51
▸ FGFR2 P21802 1/20 0.51
▸ FGFR3 P22607 1/20 0.51
▸ KDR P35968 3/20 0.50
▸ PIK3CD O00329 2/20 0.50
▸ EGFR P00533 2/20 0.50
▸ PIK3CA P42336 2/20 0.50

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
SCHEMBL26148154 0.97 ABL1 (0.81) ABL1SRCPTK6FYNHCK
SCHEMBL26148160 0.94 ABL1 (0.79) ABL1SRCPTK6FYNHCK
SCHEMBL26148167 0.93 ABL1 (0.77) ABL1SRCPTK6FYNHCK
SCHEMBL26148618 0.93 ABL1 (0.81) ABL1SRCPTK6FYNHCK
SCHEMBL18258375 0.91 ABL1 (1.00) ABL1SRCPTK6FYNHCK
SCHEMBL29381545 0.91 ABL1 (1.00) ABL1SRCPTK6FYNHCK
SCHEMBL26148152 0.89 ABL1 (0.80) ABL1SRCPTK6FYNHCK
SCHEMBL26148159 0.89 ABL1 (0.79) ABL1SRCPTK6FYNHCK
SCHEMBL26148910 0.88 ABL1 (0.78) ABL1SRCPTK6FYNHCK
SCHEMBL26148164 0.88 SRC (0.78) 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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