SCHEMBL7505109

SCHEMBL7505109

O=c1[nH]nnc2n[nH]cc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ PARP1 P09874 1/20 0.31
▸ PRKCI P41743 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
Allopurinol SCHEMBL3739112 0.67 ALDH1A1 (0.50) ALDH1A1PARP1
Allopurinol SCHEMBL2565655 0.65 ALDH1A1 (0.48) ALDH1A1PARP1
SCHEMBL8278866 0.64 PARP1 (0.46) ALDH1A1PARP1HSD17B10
Oxypurinol SCHEMBL8258215 0.64 PARP1 (0.38) ALDH1A1PARP1
SCHEMBL3759284 0.64 HCAR2 (0.46) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL19236510 0.64 CYP1A2 (0.49) ALDH1A1HSD17B10
SCHEMBL19152891 0.63 KMT2A (0.44) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL7013359 0.62 ALDH1A1 (0.44) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL18238092 0.60 ALDH1A1 (0.33) ALDH1A1PARP1PRKCIPDE4BHSD17B10
SCHEMBL2473003 0.60 ALDH1A1 (0.64) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181292-A1 PYROZOLO [3,4-D][1,2,3] TRIAZINES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2002-02-27 — — EP claimed
US-6316448-B1 Pyrazolo[3,4-d][1,2,3] troazines having anticonvulsant activity and process for their preparation ZENTARIS GMBH (DE) 2001-11-13 — — US claimed
WO-2000073309-A1 PYROZOLO [3,4-D][1,2,3] TRIAZINES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-07 — — WO claimed
EP-1181292-A1 PYROZOLO [3,4-D][1,2,3] TRIAZINES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2002-02-27 — — EP disclosed
EP-1181292-A1 PYROZOLO [3,4-D][1,2,3] TRIAZINES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2002-02-27 — — EP disclosed
US-6316448-B1 Pyrazolo[3,4-d][1,2,3] troazines having anticonvulsant activity and process for their preparation ZENTARIS GMBH (DE) 2001-11-13 — — US disclosed
US-6316448-B1 Pyrazolo[3,4-d][1,2,3] troazines having anticonvulsant activity and process for their preparation ZENTARIS GMBH (DE) 2001-11-13 — — US disclosed
WO-2000073309-A1 PYROZOLO [3,4-D][1,2,3] TRIAZINES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-07 — — WO disclosed
WO-2000073309-A1 PYROZOLO [3,4-D][1,2,3] TRIAZINES WITH AN ANTICONVULSIVE ACTION AND METHODS FOR PRODUCING THE SAME ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-12-07 — — WO disclosed
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