SCHEMBL7970800

SCHEMBL7970800

O=C1OCCN1c1ccc(-c2n[nH]c(-c3nc4cc5c(cc4[nH]3)CNC5)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.43
F9 P00740 1/20 0.40
F10 P00742 1/20 0.40
F11 P03951 1/20 0.40
F7 P08709 1/20 0.40
FGFR1 P11362 2/20 0.35
FGFR2 P21802 1/20 0.35
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
PIM1 P11309 2/20 0.34
FLT1 P17948 1/20 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
SCHEMBL7959321 0.85 F10 (0.40) F9F10F11F7CCNA2
SCHEMBL7977838 0.83 F10 (0.39) F9F10F11F7CCNA2
SCHEMBL7971008 0.83 TNKS (0.45) TNKSFGFR1FGFR2BRD4TOP1
SCHEMBL7975114 0.81 F9 (0.42) F9F10F11F7FGFR1
SCHEMBL7975112 0.79 F9 (0.47) F9F10F11F7BRD4
SCHEMBL16258933 0.79 F9 (0.47) F9F10F11F7FGFR1
SCHEMBL7969287 0.77 F9 (0.46) F9F10F11F7PIM1
SCHEMBL7980064 0.76 GSK3B (0.49) F9F10F11F7FGFR1
SCHEMBL7973330 0.75 F9 (0.44) F9F10F11F7ALDH1A1
SCHEMBL7969289 0.75 F9 (0.48) F9F10F11F7ALDH1A1

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