SCHEMBL13077242

SCHEMBL13077242

CNC(=O)Nc1ccc(-c2cnc3c(NC[C@@H](O)CO)nc4ccc(F)cc4n23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 3/20 0.47
▸ BRD4 O60885 7/20 0.43
▸ IKBKB O14920 1/20 0.37
▸ CDK11B P21127 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK13 Q14004 1/20 0.37
▸ MAP3K19 Q56UN5 1/20 0.37
▸ MYLK4 Q86YV6 1/20 0.37
▸ CDK11A Q9UQ88 1/20 0.37
▸ ABL1 P00519 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ ALK Q9UM73 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
SCHEMBL120707 1.00 TTK (0.47) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL120582 0.87 BRD4 (0.51) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL120811 0.86 BRD4 (0.53) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL6113177 0.86 BRD4 (0.44) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL13077304 0.85 TTK (0.47) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL123549 0.84 BRD4 (0.47) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL123312 0.84 BRD4 (0.49) TTKBRD4IKBKBCDK11BCDK7
SCHEMBL120497 0.84 EPHB4 (0.46) TTKBRD4
SCHEMBL121029 0.83 TTK (0.45) TTKBRD4
SCHEMBL16882582 0.83 TTK (0.45) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424537-B1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER IP GMBH (DE) 2015-07-08 — — EP disclosed
WO-2010124826-A1 SUBSTITUTED IMIDAZOQUINOXALINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-04 — — WO disclosed
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