SCHEMBL7479263

SCHEMBL7479263

O=c1[nH]cnc2nn(Cc3ccccc3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ADORA3 P0DMS8 5/20 0.51
ADORA2A P29274 3/20 0.46
ADORA1 P30542 2/20 0.46
IP6K1 Q92551 4/20 0.45
IP6K3 Q96PC2 1/20 0.45
IP6K2 Q9UHH9 1/20 0.45
PNP P00491 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDPK1 O15530 1/20 0.41
CA12 O43570 1/20 0.41
PARP1 P09874 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL7482606 0.84 MEN1 (0.56) MAPTIP6K1SMN1; SMN2NPC1RAB9A
SCHEMBL7478026 0.83 ADORA3 (0.45) MAPTADORA3KDM4ENPC1ALDH1A1
SCHEMBL7478856 0.82 IP6K1 (0.41) MAPTADORA3IP6K1IP6K3IP6K2
SCHEMBL7478583 0.82 PARP1 (0.48) MAPTIP6K1SMN1; SMN2KDM4ENPC1
SCHEMBL7487274 0.81 PARP1 (0.45) MAPTSMN1; SMN2KDM4EALDH1A1PARP1
SCHEMBL7472669 0.81 PARP1 (0.43) MAPTIP6K1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7477607 0.81 PARP1 (0.43) MAPTIP6K1SMN1; SMN2KDM4ENPC1
SCHEMBL7473258 0.81 TYR (0.40) MAPTADORA3IP6K1IP6K3IP6K2
SCHEMBL7483064 0.80 PARP1 (0.48) MAPTIP6K1SMN1; SMN2KDM4ENPC1
SCHEMBL7482908 0.78 PARP1 (0.47) ADORA2AADORA1IP6K1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005471-B1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION DRESDEN ARZNEIMITTEL (DE) 2002-09-04 EP claimed
EP-1005471-B1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION DRESDEN ARZNEIMITTEL (DE) 2002-09-04 EP disclosed
EP-1005471-A1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-06-07 EP disclosed
US-6054460-A Anticonvulsive and antiallergic/antiasthmatic pyrazolo-[3,4-d]pyrimidines, and process for preparing ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-04-25 US disclosed
WO-1999067243-A1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-12-29 WO disclosed