SCHEMBL7959321

SCHEMBL7959321

O=C1CCCN1c1ccc(-c2n[nH]c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.40
F9 P00740 1/20 0.40
F11 P03951 1/20 0.40
F7 P08709 1/20 0.40
GRK6 P43250 1/20 0.40
TNIK Q9UKE5 4/20 0.37
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
CCNA1 P78396 3/20 0.33

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
SCHEMBL7977838 0.96 F10 (0.39) F10F9F11F7GRK6
SCHEMBL7970800 0.85 TNKS (0.43) F10F9F11F7ALDH1A1
SCHEMBL10140048 0.83 F10 (0.38) F10GRK6TNIKIP6K1IP6K3
SCHEMBL7975114 0.82 F9 (0.42) F10F9F11F7ALDH1A1
SCHEMBL10140047 0.81 F10 (0.40) F10GRK6TNIKALDH1A1CCNC
SCHEMBL7966289 0.80 F10 (0.39) F10GRK6TNIKALDH1A1CCNC
SCHEMBL7960559 0.80 HTR1A (0.41) F10F9F11F7GRK6
SCHEMBL16258933 0.80 F9 (0.47) F10F9F11F7ALDH1A1
SCHEMBL7975112 0.80 F9 (0.47) F10F9F11F7ALDH1A1
SCHEMBL7973330 0.78 F9 (0.44) F10F9F11F7ALDH1A1

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