SCHEMBL19933352

SCHEMBL19933352

Cc1nc2[nH]c(-c3ccccc3)cn2c(=O)c1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.51
ADORA1 P30542 2/20 0.51
KDM5B Q9UGL1 4/20 0.41
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM5A P29375 2/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
KDM5D Q9BY66 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
HSD17B10 Q99714 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 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
SCHEMBL19933295 0.87 ADORA3 (0.51) ADORA3ADORA1KDM5BALDH1A1KDM4E
SCHEMBL19933292 0.79 KDM5B (0.48) ADORA3ADORA1KDM5BALDH1A1KDM4E
SCHEMBL23921090 0.76 ADORA3 (0.51) ADORA3ADORA1KDM5BALDH1A1KDM4E
SCHEMBL19779666 0.74 KDM5B (0.43) ADORA3ADORA1KDM5BALDH1A1KDM4E
SCHEMBL24775341 0.74 ADORA3 (0.47) ADORA3ADORA1ALDH1A1KDM4EHPGD
SCHEMBL18088765 0.72 ADORA3 (0.48) ADORA3ADORA1ALDH1A1KDM4EHPGD
SCHEMBL21396327 0.72 ADORA3 (0.42) ADORA3ADORA1KDM5BMAPTKMT2A
SCHEMBL23920903 0.68 ADORA3 (0.48) ADORA3ADORA1ALDH1A1KDM4EHPGD
SCHEMBL14016217 0.68 ADORA3 (1.00) ADORA3ADORA1
SCHEMBL21396368 0.68 ADORA3 (0.39) ADORA3ADORA1KDM5BALDH1A1KDM5A

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
WO-2018041942-A9 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-01-17 WO disclosed
WO-2018041942-A1 NEW POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES BIOLOG LIFE SCIENCE INSTITUTE FORSCHUNGSLABOR UND BIOCHEMICA-VERTRIEB GMBH (DE) 2018-03-08 WO disclosed