SCHEMBL7987950

SCHEMBL7987950

Oc1nc(-c2ccccc2)nc2ncn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.49
NR3C1 P04150 1/20 0.40
MET P08581 1/20 0.40
MDM2 Q00987 2/20 0.38
DPP4 P27487 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ADORA2A P29274 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADORA1 P30542 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MMP13 P45452 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CXCR2 P25025 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 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
SCHEMBL7974490 0.89 NR1H4 (0.47) ADORA3ABCG2ADORA2AALDH1A1SMN1; SMN2
SCHEMBL7984973 0.88 CXCR2 (0.44) ADORA3ABCG2ADORA2AALDH1A1SMN1; SMN2
SCHEMBL7974072 0.88 ADORA3 (0.43) ADORA3ABCG2MMP13CXCR2POLB
SCHEMBL7975267 0.88 SMN1; SMN2 (0.46) ADORA3ADORA2AALDH1A1SMN1; SMN2ADORA1
SCHEMBL7986521 0.87 CYP11B1 (0.47) ADORA3METADORA2AALDH1A1SMN1; SMN2
SCHEMBL7991405 0.86 CYP11B1 (0.45) ADORA3MDM2ADORA2AALDH1A1SMN1; SMN2
SCHEMBL7984717 0.85 SMN1; SMN2 (0.46) ADORA3ADORA2AALDH1A1SMN1; SMN2ADORA1
SCHEMBL7988016 0.84 HDAC1 (0.44) ADORA3METMDM2
SCHEMBL7974441 0.83 GRK2 (0.43) ADORA3ADORA2AALDH1A1SMN1; SMN2CYP11B1
SCHEMBL7974507 0.82 MET (0.46) ADORA3METADORA2AALDH1A1SMN1; SMN2

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