SCHEMBL14528751

SCHEMBL14528751

CBc1cnn2c(Nc3ccc(S(C)(=O)=O)cc3)cc(C3CCN(C(=O)OCc4ccccc4)CC3)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC3 Q13507 2/20 0.46
▸ TRPC7 Q9HCX4 2/20 0.46
▸ F13A1 P00488 5/20 0.40
▸ TGM2 P21980 5/20 0.40
▸ TGM1 P22735 5/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ MMP1 P03956 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ JAK3 P52333 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
SCHEMBL13885055 0.90 GSK3B (0.51) TRPC3TRPC7F13A1TGM2TGM1
SCHEMBL13885057 0.83 GSK3B (0.49) TRPC3TRPC7F13A1TGM2TGM1
SCHEMBL13305054 0.83 TRPC3 (0.53) TRPC3TRPC7CYP2D6CYP2C9GRIN2B
SCHEMBL13118082 0.80 GSK3B (0.51) TRPC3TRPC7CYP2D6CYP2C9GRIN2B
SCHEMBL13998619 0.79 GRIN2B (0.52) TRPC3TRPC7CYP2D6CYP2C9GRIN2B
SCHEMBL13885699 0.77 GSK3B (0.43) TRPC3TRPC7F13A1TGM2TGM1
SCHEMBL13998618 0.75 GSK3B (0.54) TRPC3TRPC7CYP2D6CYP2C9GRIN2B
SCHEMBL14528946 0.75 GSK3B (0.41) TRPC3TRPC7F13A1TGM2TGM1
SCHEMBL12953550 0.73 GSK3B (0.52) TRPC3TRPC7CYP2D6CYP2C9GRIN2B
SCHEMBL11931170 0.73 GRIN2B (0.46) TRPC3TRPC7F13A1TGM2TGM1

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
EP-1534712-B1 PYRAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AS CYCLIN DEPENDENT KINASE INHIBITORS SCHERING CORP (US) 2007-05-16 — — EP disclosed
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