SCHEMBL10690155

SCHEMBL10690155

Cc1nc2c3ccccc3ccn2c1CC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.55
ATP4B P51164 5/20 0.55
MAPK1 P28482 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HCRTR1 O43613 1/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 6/20 0.44
NPC1 O15118 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
SCHEMBL10694506 0.81 ATP4A (0.48) ATP4AATP4BMAPK1KMT2AMEN1
SCHEMBL10686121 0.81 ATP4A (0.46) ATP4AATP4BMAPK1KMT2AMEN1
SCHEMBL12145159 0.79 MAPT (0.50) ATP4AATP4BMAPK1KMT2AMAPT
SCHEMBL10691659 0.79 MAPT (0.50) MAPK1KMT2AMAPTSMN1; SMN2HCRTR1
SCHEMBL12145158 0.76 MAPT (0.55) ATP4AATP4BMAPK1KMT2ACYP1A2
SCHEMBL10686609 0.76 ATP4A (0.74) ATP4AATP4BMAPK1KMT2AMEN1
SCHEMBL10688657 0.75 MAPT (0.46) ATP4AATP4BMAPK1KMT2AMAPT
SCHEMBL5633236 0.75 ATP4A (0.60) ATP4AATP4BMAPK1KMT2AMEN1
SCHEMBL5633386 0.75 ATP4A (0.60) ATP4AATP4BMAPK1KMT2AMEN1
SCHEMBL10694924 0.74 POLB (0.53) MAPK1KMT2AMEN1CYP1A2CYP3A4

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
US-4738967-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
US-4686227-A Imidazoisoquinoline compounds useful as anti-ulcerative agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-08-11 US disclosed
EP-0165545-A2 Imidazoisoquinoline compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-12-27 EP disclosed