SCHEMBL7974072

SCHEMBL7974072

Oc1nc(-c2ccccc2)nc2ncn(Cc3cccc(C(F)(F)F)c3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
POLB P06746 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
CXCR2 P25025 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MKNK1 Q9BUB5 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
SCHEMBL7984973 0.94 CXCR2 (0.44) ADORA3ABCG2GRIN1GRIN2BPOLB
SCHEMBL7987950 0.88 ADORA3 (0.49) ADORA3ABCG2POLBCXCR2MMP13
SCHEMBL7985791 0.86 CYP11B1 (0.40) ADORA3ABCG2KDM4CMKNK1MKNK2
SCHEMBL7975267 0.85 SMN1; SMN2 (0.46) ADORA3LMNARXFP1
SCHEMBL7988016 0.84 HDAC1 (0.44) ADORA3MAPT
SCHEMBL7988668 0.84 SMN1; SMN2 (0.44) ADORA3ABCG2MMP13
SCHEMBL7974268 0.84 CYP11B1 (0.48) LMNATP53MAPT
SCHEMBL7987253 0.81 HPGDS (0.40) ADORA3ABCG2
SCHEMBL7985336 0.81 PIK3CA (0.42) ADORA3ABCG2CXCR2
SCHEMBL7974018 0.81 GAA (0.53) ABCG2LMNATP53MAPTRXFP1

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