SCHEMBL24353129

SCHEMBL24353129

Cc1c2nsnc2c(C)c2nc(-c3cccs3)c(-c3cccs3)nc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.47
RPS6KB2 Q9UBS0 6/20 0.46
ADORA2A P29274 6/20 0.41
ADORA1 P30542 5/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25415762 0.81 DHFR (0.49) DHFRRPS6KB2ADORA2AADORA1MEN1
SCHEMBL21066891 0.79 DHFR (0.47) DHFRRPS6KB2ADORA2AADORA1MEN1
SCHEMBL16437744 0.77 KDM4E (0.39) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2218274 0.75 RPS6KB2 (0.50) DHFRRPS6KB2ADORA2AADORA1MEN1
SCHEMBL23665367 0.73 TDP1 (0.44) DHFRADORA2AADORA1MEN1KMT2A
SCHEMBL21129595 0.72 KDM4E (0.41) RPS6KB2MEN1KMT2AMAPTKDM4E
SCHEMBL23724046 0.71 RPS6KB2 (0.68) DHFRRPS6KB2ADORA2AADORA1MEN1
SCHEMBL6234475 0.71 RPS6KB2 (0.53) DHFRRPS6KB2ADORA2AMEN1KMT2A
SCHEMBL12715488 0.71 DHFR (0.53) DHFRRPS6KB2ADORA2AADORA1MEN1
SCHEMBL23060338 0.70 KDM4E (0.38) ADORA2AADORA1MEN1KMT2AMAPT

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-20220332870-A1 Narrow Band Gap Conjugated Polymers Employing Cross-Conjugated Donors Useful In Electronic Devices THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2022-10-20 US disclosed
US-11312819-B2 Narrow band gap conjugated polymers employing cross-conjugated donors useful in electronic devices THE UNIVERSITY OF SOUTHERN MISSISSIPPI (US) 2022-04-26 US disclosed