SCHEMBL8565234

SCHEMBL8565234

CCc1nc2c(CC(C)(C)O)nc3ccccc3c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.46
DDAH1 O94760 1/20 0.40
ADORA3 P0DMS8 3/20 0.37
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PARP1 P09874 2/20 0.36
TNKS O95271 1/20 0.36
TLR7 Q9NYK1 2/20 0.36
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACVR1 Q04771 1/20 0.34

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
SCHEMBL8600371 0.75 TNKS2 (0.53) TNKS2DDAH1ADORA3ADORA2AADORA1
SCHEMBL8576858 0.72 PARP1 (0.48) ALDH1A1PARP1TLR7KDM4EGAA
SCHEMBL5502915 0.71 TLR7 (0.31) TNKS2POLBTLR7
SCHEMBL8576955 0.69 KMT2A (0.44) ALDH1A1PARP1KDM4EGAAMEN1
SCHEMBL8572046 0.68 GAA (0.46) TNKS2ADORA3ALDH1A1GLASMN1; SMN2
SCHEMBL6737901 0.67 ELANE (0.40) GLAPARP1TLR7KDM4EGAA
SCHEMBL8575152 0.66 JAK2 (0.41) ADORA3POLBPARP1TLR7KDM4E
SCHEMBL4065218 0.65 ADORA1 (0.36) ADORA3ADORA2AADORA1TLR7KDM4E
SCHEMBL9036182 0.65 TLR7 (0.52) ADORA3ADORA2AADORA1ALDH1A1PARP1
SCHEMBL30176850 0.64 TNKS2 (1.00) TNKS2DDAH1ALDH1A1POLBSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641342-B1 ANTIVIRAL 2-ETHYL-1H-IMIDAZO(4,5-C)QUINOLIN-4-AMINES MINNESOTA MINING & MFG (US) 1998-08-05 EP disclosed