SCHEMBL7969756

SCHEMBL7969756

CCc1ncccc1-c1ccc(-c2n[nH]c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.42
F9 P00740 1/20 0.42
F11 P03951 1/20 0.42
F7 P08709 1/20 0.42
JAK2 O60674 4/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK3 P52333 4/20 0.34
CDK4 P11802 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CCND3 P30281 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7974790 0.82 F10 (0.48) F10F9F11F7JAK2
SCHEMBL7975112 0.81 F9 (0.47) F10F9F11F7NPC1
SCHEMBL7969289 0.81 F9 (0.48) F10F9F11F7NPC1
SCHEMBL16258933 0.79 F9 (0.47) F10F9F11F7KDM4E
SCHEMBL7977818 0.78 F9 (0.48) F10F9F11F7JAK2
SCHEMBL7969287 0.77 F9 (0.46) F10F9F11F7NPC1
SCHEMBL7980064 0.76 GSK3B (0.49) F10F9F11F7
SCHEMBL7973518 0.75 F9 (0.43) F10F9F11F7JAK2
SCHEMBL7973330 0.75 F9 (0.44) F10F9F11F7KDM4E
SCHEMBL7975114 0.74 F9 (0.42) F10F9F11F7CCNA2

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed