SCHEMBL5278449

SCHEMBL5278449

c1ccc(NCCCn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 11/20 0.67
▸ MAPK14 Q16539 9/20 0.67
▸ METAP1 P53582 1/20 0.44
▸ THRB P10828 1/20 0.42
▸ TGFBR2 P37173 1/20 0.41
▸ ABL2 P42684 1/20 0.41
▸ CSNK1A1 P48729 1/20 0.41
▸ CSNK1D P48730 1/20 0.41
▸ MAP3K20 Q9NYL2 1/20 0.41
▸ AURKA O14965 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38

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
SCHEMBL2045872 0.95 TGFBR1 (0.68) TGFBR1MAPK14METAP1THRBTGFBR2
SCHEMBL5188286 0.84 TGFBR1 (0.70) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2045365 0.83 TGFBR1 (0.76) TGFBR1MAPK14METAP1THRBTGFBR2
SCHEMBL5186721 0.83 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5187792 0.83 TGFBR1 (0.60) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5091553 0.82 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL2050975 0.82 TGFBR1 (0.71) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186629 0.81 TGFBR1 (0.69) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL5186668 0.81 TGFBR1 (0.66) TGFBR1MAPK14THRBTGFBR2ABL2
SCHEMBL373455 0.80 TGFBR1 (1.00) TGFBR1MAPK14THRBTGFBR2ABL2

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-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
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