SCHEMBL7985264

SCHEMBL7985264

Oc1nc(-c2ccncc2)nc2ncn(Cc3cccc(F)c3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ROCK1 Q13464 3/20 0.39
ROCK2 O75116 1/20 0.39
CDK9 P50750 5/20 0.38
MAOB P27338 1/20 0.38
MET P08581 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B13 Q7Z5P4 1/20 0.36
PRKACA P17612 1/20 0.36
BRD4 O60885 1/20 0.36
CYP19A1 P11511 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL7985791 0.91 CYP11B1 (0.40) CYP11B1CYP11B2CDK9ALDH1A1KDM4C
SCHEMBL7988638 0.91 MET (0.42) CYP11B1CYP11B2ROCK1ROCK2CDK9
SCHEMBL7991669 0.90 HDAC1 (0.38) CYP11B1CYP11B2ROCK1ROCK2CDK9
SCHEMBL7985334 0.89 ABCG2 (0.46) CYP11B1CYP11B2CDK9MAOBALDH1A1
SCHEMBL7974267 0.87 SMN1; SMN2 (0.43) CYP11B1CYP11B2ROCK2METHPGD
SCHEMBL7991635 0.87 IDO1 (0.37) CYP11B1CYP11B2ROCK1ROCK2CDK9
SCHEMBL7988747 0.87 CYP11B1 (0.44) CYP11B1CYP11B2ROCK1ROCK2MET
SCHEMBL7985275 0.86 MET (0.46) CYP11B1CYP11B2METGSK3BCYP19A1
SCHEMBL7974441 0.86 GRK2 (0.43) CYP11B1CYP11B2ALDH1A1HPGDKDM4C
SCHEMBL7985299 0.86 CDK9 (0.39) CYP11B1CYP11B2ROCK1ROCK2CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed