SCHEMBL13077243

SCHEMBL13077243

CCNc1nc2cc(F)c(F)cc2n2c(-c3ccc(NC(=O)NC)cc3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.45
IKBKB O14920 6/20 0.36
CDK11B P21127 2/20 0.36
CDK7 P50613 2/20 0.36
CDK13 Q14004 2/20 0.36
MAP3K19 Q56UN5 2/20 0.36
MYLK4 Q86YV6 2/20 0.36
CDK11A Q9UQ88 2/20 0.36
CHRNA7 P36544 1/20 0.36
BRD4 O60885 4/20 0.36
CHUK O15111 5/20 0.36
FGFR3 P22607 1/20 0.35
IDO1 P14902 1/20 0.34
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
ERN1 O75460 1/20 0.34
RPS6KA4 O75676 1/20 0.34
PRKD3 O94806 1/20 0.34
CDK1 P06493 1/20 0.34
KIT P10721 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
SCHEMBL120110 0.93 TTK (0.44) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL122056 0.91 TTK (0.43) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL174878 0.91 TTK (0.46) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL123880 0.89 TTK (0.43) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL119528 0.89 TTK (0.42) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL121481 0.89 IKBKB (0.44) TTKIKBKBCDK11BCDK7CDK13
SCHEMBL3720432 0.88 EPHB4 (0.43) TTK
SCHEMBL3719730 0.86 TTK (0.42) TTK
SCHEMBL3722608 0.86 TTK (0.42) TTK
SCHEMBL121067 0.84 TTK (0.42) TTKBRD4

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-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 WO disclosed