SCHEMBL10507536

SCHEMBL10507536

C=CCNc1ccnc2cn[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C8 P10632 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ HTR2A P28223 1/20 0.35
▸ RAB9A P51151 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ RRM2 P31350 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.32
▸ ALDH1A1 P00352 3/20 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
SCHEMBL4890543 0.77 CA12 (0.44) CA12CA1CA2CA9CA14
SCHEMBL21067190 0.77 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8POLBPKM
SCHEMBL10506660 0.77 TGFBR1 (0.40) TGFBR1CYP3A4CYP2C8HTTHTR1A
SCHEMBL21061229 0.75 SYK (0.46) TGFBR1CYP3A4CYP2C8MEN1KMT2A
SCHEMBL10506617 0.74 SLC2A1 (0.48) CYP3A4CA12CA1CA2CA9
SCHEMBL21067211 0.72 MAP4K4 (0.39) TGFBR1CYP3A4CYP2C8PKMHTR1A
SCHEMBL22734376 0.72 IDO1 (0.52) CYP3A4RAB9AMAPTMEN1KMT2A
SCHEMBL21067231 0.71 KCNH3 (0.39) TGFBR1CYP3A4CYP2C8PKMHTR1A
SCHEMBL21067269 0.71 TGFBR1 (0.41) TGFBR1CYP3A4CYP2C8HTTHTR1A
SCHEMBL22734380 0.71 CYP2C19 (0.53) CYP3A4MAPTMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152910-B1 PYRAZOLOPYRIDINE DERIVATIVES BEECHAM GROUP PLC (GB) 1989-07-12 — — EP claimed
US-4670432-A Pyrazolopyridine derivatives useful in treating inflammation and allergic conditions BEECHAM GROUP P.L.C. (GB) 1987-06-02 — — US claimed
EP-0152910-A2 pyrazolopyridine derivatives BEECHAM GROUP PLC (GB) 1985-08-28 — — EP claimed
EP-0152910-B1 PYRAZOLOPYRIDINE DERIVATIVES BEECHAM GROUP PLC (GB) 1989-07-12 — — EP disclosed
US-4670432-A Pyrazolopyridine derivatives useful in treating inflammation and allergic conditions BEECHAM GROUP P.L.C. (GB) 1987-06-02 — — US disclosed
EP-0152910-A2 pyrazolopyridine derivatives BEECHAM GROUP PLC (GB) 1985-08-28 — — EP disclosed
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