SCHEMBL10738745

SCHEMBL10738745

c1cc(Nc2ccsc2)c2[nH]ncc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 8/20 0.49
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C8 P10632 2/20 0.44
▸ MAPKAPK2 P49137 3/20 0.40
▸ KDR P35968 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ MAP4K4 O95819 1/20 0.30

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
SCHEMBL10804527 0.79 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8SLC2A1AURKA
SCHEMBL10840379 0.77 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C8MAPKAPK2SLC2A1
SCHEMBL10738951 0.74 TGFBR1 (0.44) TGFBR1CYP3A4CYP2C8CCNB2CDK1
SCHEMBL21061188 0.67 TRPM5 (0.42) TGFBR1CYP3A4CYP2C8
SCHEMBL2598342 0.66 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8MAP4K4
SCHEMBL21067190 0.66 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8
SCHEMBL2598344 0.66 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL22733555 0.65 TGFBR1 (0.46) TGFBR1CYP3A4CYP2C8SLC2A1
SCHEMBL2598458 0.65 TGFBR1 (1.00) TGFBR1CYP3A4CYP2C8
SCHEMBL10507536 0.65 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207593-A1 Pyrazolopyridine derivatives BEECHAM GROUP PLC (GB) 1987-01-07 — — EP claimed
US-4716160-A Certain 7-amino-pyrazolo[4,3-b]pyridines useful in treating inflammatory and allergic disorders BEECHAM GROUP P.L.C. (GB) 1987-12-29 — — US disclosed
EP-0207593-A1 Pyrazolopyridine derivatives BEECHAM GROUP PLC (GB) 1987-01-07 — — EP disclosed
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