SCHEMBL18250097

SCHEMBL18250097

Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2CC=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.67
ABL1 P00519 6/20 0.67
SRC P12931 6/20 0.67
EGFR P00533 5/20 0.67
PIK3CD O00329 5/20 0.67
PRKDC P78527 5/20 0.67
HCK P08631 4/20 0.67
PIK3CA P42336 4/20 0.67
PIK3CB P42338 4/20 0.67
PIK3CG P48736 4/20 0.67
KDR P35968 3/20 0.67
EPHB4 P54760 3/20 0.67
FYN P06241 5/20 0.66
RET P07949 4/20 0.66
YES1 P07947 3/20 0.66
HDAC1 Q13547 3/20 0.65
HDAC3 O15379 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC8 Q9BY41 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65

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
SCHEMBL24519592 0.86 ABL1 (0.75) MTORABL1SRCEGFRPIK3CD
SCHEMBL27943343 0.86 MTOR (0.71) MTORABL1SRCEGFRPIK3CD
SCHEMBL30405669 0.83 MTOR (0.74) MTORABL1SRCEGFRPIK3CD
SCHEMBL20553355 0.83 MTOR (0.74) MTORABL1SRCEGFRPIK3CD
SCHEMBL23917412 0.81 ABL1 (1.00) MTORABL1SRCEGFRPIK3CD
SCHEMBL25113289 0.81 MTOR (0.71) MTORABL1SRCEGFRPIK3CD
SCHEMBL18250089 0.80 MTOR (1.00) MTORABL1SRCEGFRPIK3CD
SCHEMBL25113261 0.78 PIK3C2B (0.55) MTORABL1SRCEGFRPIK3CD
SCHEMBL18258361 0.76 SRC (1.00) MTORABL1SRCEGFRPIK3CD
SCHEMBL12265009 0.76 EGFR (1.00) MTORABL1SRCEGFRPIK3CD

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