SCHEMBL9748624

SCHEMBL9748624

Cc1ccccc1CNc1cccn2c(CN(C)C)c(C)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.53
CYP2C9 P11712 5/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 1/20 0.53
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
BRD4 O60885 2/20 0.41
TP53 P04637 2/20 0.41
BRD9 Q9H8M2 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 1/20 0.39
KAT2B Q92831 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10613089 0.88 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Iodide SCHEMBL9746949 0.83 CYP3A4 (0.51) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL9746585 0.83 CYP3A4 (0.51) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL9746590 0.80 PSEN1 (0.61) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL9746651 0.78 CYP3A4 (0.47) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL9748602 0.78 CYP3A4 (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL6352082 0.73 CYP3A4 (0.73) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL9746759 0.72 ATP4A (0.46) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL9746492 0.72 NPC1 (0.49) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6353615 0.72 CYP3A4 (0.68) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0204285-B1 IMIDAZOHETEROCYCLIC COMPOUNDS PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP disclosed