SCHEMBL15086953

SCHEMBL15086953

CC(C)(C)OC(=O)Nc1ncnc2c1ccn2-c1cccc(N)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 7/20 0.58
▸ PIK3CG P48736 4/20 0.58
▸ AURKA O14965 2/20 0.41
▸ RPS6KB1 P23443 2/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ KIT P10721 3/20 0.39
▸ DDR1 Q08345 2/20 0.39
▸ DDR2 Q16832 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PRMT1 Q99873 1/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ METTL3 Q86U44 1/20 0.37

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
SCHEMBL15086965 0.87 PIP4K2A (0.49) PIP4K2APIK3CGAURKARPS6KB1GSK3A
SCHEMBL15086952 0.84 PIP4K2A (0.43) PIP4K2APIK3CGAURKARPS6KB1GSK3A
SCHEMBL14617851 0.81 PIK3CG (0.40) PIP4K2APIK3CGAURKARPS6KB1NPSR1
SCHEMBL14706378 0.77 ABL1 (0.41) PIP4K2APIK3CGAURKARPS6KB1NPSR1
SCHEMBL8344608 0.73 MAPT (0.56) GSK3B
SCHEMBL1438403 0.73 MAP4K4 (0.52) AURKARPS6KB1NPSR1MAP4K4PRMT1
SCHEMBL15709569 0.73 SRC (0.42) PIP4K2APIK3CGNPSR1MAP4K4ABL1
SCHEMBL15087023 0.72 GPR119 (0.52) CYP3A4
SCHEMBL3891618 0.70 ATR (0.37) PIK3CGAURKARPS6KB1NPSR1MAP4K4
SCHEMBL15086956 0.70 MAPT (0.52) GSK3BNPSR1CYP3A4

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-2013102059-A1 PYRAZOLO [3, 4-D] PYRIMIDINE AND PYRROLO [2, 3-D] PYRIMIDINE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS, INC. (US) 2013-07-04 — — WO disclosed
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