SCHEMBL10971103

SCHEMBL10971103

CC(C)(C)C(=O)Nc1ccc2c(N)ncnc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.65
L3MBTL1 Q9Y468 1/20 0.49
JAK2 O60674 1/20 0.45
MAPT P10636 3/20 0.44
PI4K2A Q9BTU6 1/20 0.44
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LCK P06239 1/20 0.42
CTSL P07711 1/20 0.42
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CTSS P25774 1/20 0.42

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
SCHEMBL10969193 0.89 MAP4K4 (0.76) MAP4K4L3MBTL1MAPTTP53SMN1; SMN2
SCHEMBL7897327 0.84 MAP4K4 (0.62) MAP4K4MAPTPI4K2AKDM4EMEN1
SCHEMBL12545778 0.81 MAP4K4 (0.49) MAP4K4L3MBTL1PI4K2ATP53SMN1; SMN2
SCHEMBL15587853 0.79 MAP4K4 (1.00) MAP4K4
SCHEMBL10975752 0.75 EGFR (0.43) MAP4K4L3MBTL1JAK2MAPTTP53
SCHEMBL2777608 0.74 PI4KA (0.50) MAP4K4PI4K2AEGFR
SCHEMBL24527494 0.72 MAPT (0.69) L3MBTL1MAPTTP53SMN1; SMN2NPSR1
SCHEMBL10967737 0.72 MAP4K4 (0.60) MAP4K4CA1CA2CA7CA14
SCHEMBL24527524 0.71 MAPT (0.58) MAP4K4L3MBTL1MAPTTP53SMN1; SMN2
SCHEMBL24067422 0.70 EGFR (0.53) MAP4K4MAPTPI4K2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4543356-A Quinazoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-24 US disclosed
EP-0030156-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 EP disclosed
US-4429126-A ANTIASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
US-4377580-A ANTIALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-22 US disclosed
EP-0030156-A1 Quinazoline derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 EP disclosed