SCHEMBL18250076

SCHEMBL18250076

Nc1ncnc2c1c(C#Cc1ccccc1)nn2CC=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.59
▸ RET P07949 5/20 0.59
▸ MTOR P42345 2/20 0.57
▸ PIK3CD O00329 3/20 0.46
▸ PIK3CA P42336 3/20 0.46
▸ PIK3CB P42338 3/20 0.46
▸ PIK3CG P48736 3/20 0.46
▸ FGFR2 P21802 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PRKDC P78527 1/20 0.41

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
SCHEMBL22692823 0.78 ABL1 (0.72) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18250098 0.77 ABL1 (0.60) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL29496415 0.74 ABL1 (1.00) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18690708 0.74 ABL1 (1.00) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL26148251 0.74 MAPK1 (0.42) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL22664606 0.73 MTOR (1.00) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18250087 0.72 DYRK3 (0.47) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL18258355 0.71 SRC (0.62) ABL1RETMTORFGFR2
SCHEMBL22664645 0.69 MTOR (0.69) ABL1RETMTORPIK3CDPIK3CA
SCHEMBL22692825 0.69 MTOR (1.00) ABL1RETMTORPIK3CDPIK3CA

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
EP-3298015-A1 COMPOUNDS The University Court of the University of Edinburgh (GB) 2018-03-28 — — EP disclosed
WO-2016185160-A1 COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2016-11-24 — — WO disclosed
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