SCHEMBL9746759

SCHEMBL9746759

C#CCc1c(C)nc2c(NCc3ccccc3Cl)cccn12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.46
ATP4B P51164 3/20 0.46
CYP3A4 P08684 4/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40
GRM2 Q14416 1/20 0.39
EPHB3 P54753 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL9746585 0.89 CYP3A4 (0.51) ATP4AATP4BCYP3A4CYP2C9CYP2C19
SCHEMBL9747511 0.86 CYP3A4 (0.41) ATP4AATP4BCYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9746914 0.85 CYP3A4 (0.41) ATP4AATP4BCYP3A4CYP2C9CYP2C19
SCHEMBL10613089 0.85 CYP3A4 (0.46) ATP4AATP4BCYP3A4CYP2C9CYP2C19
Iodide SCHEMBL9749389 0.83 CYP3A4 (0.44) ATP4AATP4BCYP3A4CYP2C9CYP2C19
SCHEMBL9747746 0.80 ATP4A (0.59) ATP4AATP4BCYP3A4CYP2C9CYP2C19
SCHEMBL10397520 0.76 CYP3A4 (0.53) ATP4AATP4BCYP3A4CYP2C9CYP2C19
SCHEMBL10398337 0.76 CYP3A4 (0.54) ATP4AATP4BCYP3A4CYP2C9CYP2C19
SCHEMBL9746651 0.76 CYP3A4 (0.47) ATP4AATP4BCYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9748602 0.75 CYP3A4 (0.46) ATP4AATP4BCYP3A4CYP2C9CYP2C19

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 6 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 claimed
US-4725601-A Certain imidazo[1,2-a]pyridines useful in the treatment of ulcers FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US claimed
EP-0204285-A1 Imidazoheterocyclic compounds processes for preparation thereof and pharmaceutical compositions comprising them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-12-10 EP claimed
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