SCHEMBL212085

SCHEMBL212085

O=CNc1cc2ccccn2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.58
ABL1 P00519 1/20 0.58
MAPK8 P45983 1/20 0.58
CSNK1A1 P48729 1/20 0.58
CDK7 P50613 1/20 0.58
TYRO3 Q06418 1/20 0.58
LRRK2 Q5S007 1/20 0.58
AURKB Q96GD4 1/20 0.58
CLK4 Q9HAZ1 1/20 0.58
PIM2 Q9P1W9 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
USP30 Q70CQ3 1/20 0.45
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC4 P56524 1/20 0.39
TP53 P04637 5/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL17132891 0.77 MAP4K4 (0.63) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL24798104 0.77 MAP4K4 (0.63) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL25331825 0.76 MAP4K4 (0.58) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL7827526 0.73 MAP4K4 (1.00) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL4127301 0.73 HDAC2 (0.48) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL17131641 0.72 MAP4K4 (0.58) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL25518955 0.72 MAP4K4 (0.58) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL29940831 0.71 APOBEC3A (0.49)
SCHEMBL29659576 0.70 MAP4K4 (0.71) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL14831925 0.69 DRD2 (0.44) MAP4K4ABL1MAPK8CSNK1A1CDK7

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
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed