SCHEMBL6512398

SCHEMBL6512398

O=c1cc2c(ccc3nccn32)c[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 10/20 0.33
CDK2 P24941 10/20 0.33
ADORA3 P0DMS8 1/20 0.33
CCNE2 O96020 4/20 0.33
CHEK1 O14757 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
PRKACA P17612 1/20 0.32
KDR P35968 1/20 0.32
CDK8 P49336 1/20 0.32
MAP2K1 Q02750 1/20 0.32
ACVR1 Q04771 1/20 0.32
MAP4K2 Q12851 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
AURKB Q96GD4 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIA1 P42261 1/20 0.31

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
SCHEMBL20767747 0.75 CDK8 (0.36) ADORA3CHEK1MAP4K4CSF1RPRKACA
SCHEMBL1104796 0.67 ROCK1 (0.46) CDK2ADORA3CHEK1MAP4K4CSF1R
SCHEMBL11536510 0.67 ROCK1 (0.46) CDK2ADORA3CHEK1MAP4K4CSF1R
SCHEMBL12638559 0.67 MAP3K14 (0.38) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL8145613 0.66 PRKCI (0.44) ADORA3CHEK1MAP4K4CSF1RPRKACA
SCHEMBL1599283 0.66 MAPT (0.38) CHEK1MAP4K4CSF1RPRKACAKDR
SCHEMBL29242590 0.65 BRD4 (0.45) ADORA3CHEK1MAP4K4CSF1RPRKACA
SCHEMBL31732605 0.64 MAPK8 (0.43)
SCHEMBL8136927 0.64 CYP1A2 (0.51)
SCHEMBL557383 0.64 MAP2K1 (0.44) CCNE1CDK2ADORA3CCNE2CHEK1

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-2005105814-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2005-11-10 WO claimed