SCHEMBL13077304

SCHEMBL13077304

CNC(=O)Nc1ccc(-c2cnc3c(NC[C@@H](O)CO)nc4cc(N)ccc4n23)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.47
▸ BRD4 O60885 4/20 0.37
▸ SYK P43405 2/20 0.33
▸ KDR P35968 1/20 0.32
▸ IKBKB O14920 3/20 0.32
▸ CHUK O15111 2/20 0.32
▸ CDK11B P21127 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK13 Q14004 1/20 0.32
▸ MAP3K19 Q56UN5 1/20 0.32
▸ MYLK4 Q86YV6 1/20 0.32
▸ CDK11A Q9UQ88 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ BLK P51451 1/20 0.32
▸ PRF1 P14222 1/20 0.31
▸ ATM Q13315 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
SCHEMBL13077306 0.88 IKBKB (0.43) TTKBRD4IKBKBCHUKCDK11B
SCHEMBL121029 0.88 TTK (0.45) TTKBRD4PRF1
SCHEMBL16882582 0.88 TTK (0.45) TTKBRD4PRF1
SCHEMBL13077300 0.87 BRD4 (0.43) TTKBRD4IKBKBCHUK
SCHEMBL13077299 0.86 TTK (0.47) TTKBRD4IKBKBCHUK
SCHEMBL120707 0.85 TTK (0.47) TTKBRD4SYKIKBKBCDK11B
SCHEMBL13077242 0.85 TTK (0.47) TTKBRD4SYKIKBKBCDK11B
SCHEMBL13077297 0.82 TTK (0.41) TTKBRD4KDRCSF1RKIT
SCHEMBL13077292 0.82 RAB9A (0.42) TTKBRD4KDRKIT
SCHEMBL13077301 0.82 FYN (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
Send feedback