SCHEMBL22562532

SCHEMBL22562532

Cc1nc(C)nc(-c2ccc3c4ccc(-c5nc(C)nc(C)n5)cc4n(-c4cc(-c5cccc(-c6ccccc6)n5)cc(-n5c6cc(-c7nc(C)nc(C)n7)ccc6c6ccc(-c7nc(C)nc(C)n7)cc65)c4C#N)c3c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
ADORA1 P30542 7/20 0.37
ADORA2A P29274 6/20 0.37
HPGD P15428 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SQOR Q9Y6N5 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
ADORA2B P29275 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL22562531 0.97 SQOR (0.35) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562319 0.95 SMN1; SMN2 (0.34) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562314 0.92 SMN1; SMN2 (0.33) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562377 0.91 ADORA1 (0.39) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL19942791 0.89 L3MBTL1 (0.44) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562529 0.88 ADORA2A (0.36) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL19942756 0.88 L3MBTL1 (0.39) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562523 0.88 MEN1 (0.40) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562536 0.87 ADORA1 (0.47) L3MBTL1ADORA1ADORA2AHPGDNPSR1
SCHEMBL22562549 0.87 ADORA1 (0.46) L3MBTL1ADORA1ADORA2AHPGDNPSR1

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-3418278-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP disclosed