SCHEMBL7974286

SCHEMBL7974286

Oc1nc(-c2cccnc2)nc2ncn(Cc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.49
CYP3A4 P08684 4/20 0.45
CYP2D6 P10635 4/20 0.45
CYP2C19 P33261 4/20 0.45
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 3/20 0.41
CLK4 Q9HAZ1 3/20 0.41
USP2 O75604 2/20 0.41
HPGDS O60760 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40

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
SCHEMBL7989420 0.90 MET (0.45) DHPSCYP3A4CYP2C19CYP1A2SMN1; SMN2
SCHEMBL7984769 0.90 CLK4 (0.44) DHPSL3MBTL1CLK4ALDH1A1SMN1; SMN2
SCHEMBL7988659 0.89 P2RX7 (0.41) DHPSCYP3A4CYP2D6CYP2C19CYP2E1
SCHEMBL7975267 0.89 SMN1; SMN2 (0.46) HPGDSALDH1A1SMN1; SMN2CYP11B1CYP11B2
SCHEMBL7986327 0.89 NPC1 (0.43) DHPSCYP3A4CYP2D6CYP2C19CYP2E1
SCHEMBL7988934 0.87 CYP1A2 (0.47) DHPSCYP3A4CYP2D6CYP2C19CYP2A6
SCHEMBL7985334 0.87 ABCG2 (0.46) DHPSCLK1DYRK1AALDH1A1CYP11B1
SCHEMBL7974237 0.87 KIF11 (0.42) DHPSALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL7974441 0.87 GRK2 (0.43) DHPSDYRK1AHPGDSALDH1A1SMN1; SMN2
SCHEMBL7974043 0.87 GBA1 (0.43) DHPSCYP3A4CYP2D6CYP2C19L3MBTL1

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