SCHEMBL5202563

SCHEMBL5202563

Cc1cc(Br)c2nc(-c3cccc(C)n3)c(-c3ccncn3)n2c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
HTR6 P50406 1/20 0.35
TGFBR1 P36897 14/20 0.35
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
TGFBR2 P37173 1/20 0.33
EGFR P00533 1/20 0.32
RAF1 P04049 1/20 0.32
CYP3A4 P08684 1/20 0.32
ARAF P10398 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
MAP2K2 P36507 1/20 0.32
FLT3 P36888 1/20 0.32
KCNH2 Q12809 1/20 0.32
ERBB4 Q15303 1/20 0.32

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
SCHEMBL412692 0.84 AKT1 (0.38) AKT1AKT2HTR6TGFBR1MAPK14
SCHEMBL5792276 0.84 MAP3K14 (0.46) AKT1AKT2HTR6TGFBR1MAPK14
SCHEMBL5794919 0.81 HTR6 (0.39) AKT1AKT2HTR6TGFBR1MAPK14
SCHEMBL414173 0.74 CDK2 (0.46) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL412821 0.71 MAPK14 (0.68) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5793074 0.70 MAPK13 (0.40) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL415422 0.67 GSK3B (0.41) TGFBR1KDR
SCHEMBL415270 0.67 GSK3B (0.41)
SCHEMBL411283 0.66 MAP3K14 (0.41) TGFBR1MAPK13MAPK12MAPK11MAPK14
SCHEMBL414090 0.63 MAP3K14 (0.70) TGFBR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP claimed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO claimed
EP-1804801-A2 METHODS OF TREATING VASCULAR INJURIES Biogen Idec MA, Inc. (US) 2007-07-11 EP disclosed
WO-2006044509-A2 METHODS OF TREATING VASCULAR INJURIES BIOGEN IDEC MA INC. (US) 2006-04-27 WO disclosed