SCHEMBL5199045

SCHEMBL5199045

O=C(O)Nc1nc2ccccc2c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 3/20 0.62
PARP1 P09874 2/20 0.62
RAB9A P51151 6/20 0.61
MAPT P10636 5/20 0.61
LMNA P02545 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.61
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
GLA P06280 2/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 1/20 0.55
QTRT1 Q9BXR0 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
TNKS O95271 1/20 0.51

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
SCHEMBL2884186 0.82 KDM4E (0.64) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL29909366 0.79 KDM4E (0.64) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL204726 0.79 NPC1 (0.73) RAB9ALMNASMN1; SMN2NPC1KDM4E
SCHEMBL3821179 0.79 KDM4E (0.64) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL30289849 0.78 KDM4E (0.74) TNKS2PARP1RAB9AMAPTSMN1; SMN2
SCHEMBL29839737 0.78 RAB9A (0.56) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL10004573 0.78 RAB9A (0.53) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL47352 0.77 PARP1 (1.00) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL28275368 0.77 KDM4E (0.60) TNKS2PARP1RAB9AMAPTLMNA
SCHEMBL29040044 0.76 KDM4E (0.66) RAB9AMAPTLMNASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841746-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-ON COMPOUNDSFOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICITION AND EPILEPSY, THEIR PREPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-10 EP claimed
WO-2006072588-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-CN COMPOUNDS FOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICTION AND EPILEPSY, THEIR PREAPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-07-13 WO claimed
EP-1841746-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-ON COMPOUNDSFOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICITION AND EPILEPSY, THEIR PREPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-10-10 EP disclosed
WO-2006072588-A1 SUBSTITUTED 2-AMINO-QUINAZOLIN-4-CN COMPOUNDS FOR USE IN THE TREATMENT OF CNS DISORDERS, PAIN, STROKE, ADDICTION AND EPILEPSY, THEIR PREAPARATION AND USE AS INTERMEDIATES LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2006-07-13 WO disclosed