SCHEMBL28038682

SCHEMBL28038682

Nc1cc(N)nc(-c2ccncn2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
MAPK11 Q15759 3/20 0.38
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
LATS1 O95835 3/20 0.38
KDM4E B2RXH2 2/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK9 P45984 2/20 0.36
MAPK10 P53779 1/20 0.36
RAF1 P04049 1/20 0.35
DHFR P00374 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRM5 P41594 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL19409904 0.80 HSP90AA1 (0.45) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL30448395 0.73 HSP90AA1 (0.58) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL23453427 0.73 HSP90AA1 (0.46) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL16369788 0.73 PRKACA (0.52) HSP90AA1KDM4EADORA2AGSK3B
SCHEMBL29430257 0.73 TP53 (0.48) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL5989213 0.73 HSP90AA1 (0.44) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL25295479 0.73 TP53 (0.48) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL28058618 0.73 LATS1 (0.39) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL2814353 0.72 HSP90AA1 (0.52) HSP90AA1MAPK11MAPK14MAPK13MAPK12
SCHEMBL30595872 0.72 HSP90AA1 (0.52) HSP90AA1MAPK11MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105164116-A Heteroaryl substituted indazoles Bayer Pharma AG 2015-12-16 CN claimed
CN-105051030-A Diaminoheteroaryl substituted indazoles Bayer Pharma AG 2015-11-11 CN claimed
CN-105164116-A Heteroaryl substituted indazoles Bayer Pharma AG 2015-12-16 CN disclosed
CN-105051030-A Diaminoheteroaryl substituted indazoles Bayer Pharma AG 2015-11-11 CN disclosed