SCHEMBL7610690

SCHEMBL7610690

Cc1nc2c(NCc3ccccc3)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
PARP1 P09874 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.43
PDE4B Q07343 1/20 0.43
RECQL P46063 1/20 0.43
APP P05067 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL7611919 0.82 CYP3A4 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7617293 0.79 PARP1 (0.46) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7613739 0.77 MEN1 (0.42) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7610701 0.77 SMN1; SMN2 (0.47) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL7612337 0.76 CYP3A4 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL3072602 0.74 PARP1 (0.53) DRD2DRD4DRD3GAAPARP1
SCHEMBL12109632 0.74 PARP1 (0.57) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL6697342 0.74 DRD2 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL9828697 0.73 DRD4 (0.56) DRD2DRD4DRD3RAB9ASMN1; SMN2
SCHEMBL28853022 0.72 PARP1 (0.55) MEN1KMT2ASMN1; SMN2PARP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906288-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2002-11-06 EP disclosed
US-6465505-B1 SUCH AS 4-(2,6-DIMETHYLBENZYLAMINO OR BENZYLOXY)-2-METHYL BENZIMIDAZOLE; INHIBITING EXOGENOUS OR ENDOGENOUS STIMULATED GASTRIC ACID SECRETION; PREVENTION AND TREATMENT OF GASTRO-INTESTINAL INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2002-10-15 US disclosed
EP-0906288-A1 NEW COMPOUNDS Astra Aktiebolag (SE) 1999-04-07 EP disclosed
WO-1997047603-A1 NEW COMPOUNDS ASTRA AKTIEBOLAG (SE) 1997-12-18 WO disclosed
EP-0266326-B1 NOVEL DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS Aktiebolaget Hässle (SE) 1993-03-10 EP disclosed
US-5106862-A DERIVATIVES OF BENZIMIDAZOLES ACTIVE AS ANTI-ULCER AGENTS AKTIEBOLAGET HASSLE (SE) 1992-04-21 US disclosed
EP-0266326-A1 Novel derivatives of benzimidazoles active as anti-ulcer agents Aktiebolaget Hässle (SE) 1988-05-04 EP disclosed