SCHEMBL20041347

SCHEMBL20041347

N#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 11/20 0.77
ADORA2A P29274 10/20 0.77
HSD17B10 Q99714 1/20 0.77
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
SQOR Q9Y6N5 1/20 0.64
HPGD P15428 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL22115385 0.91 ADORA1 (0.66) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19885521 0.89 HPGD (0.74) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19313767 0.88 ADORA1 (0.62) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19305511 0.87 KMT2A (0.85) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL22208277 0.87 ADORA1 (0.66) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19313789 0.87 ADORA1 (0.60) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19885518 0.87 ADORA1 (0.76) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19313598 0.85 ADORA1 (0.59) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL19313790 0.85 ADORA1 (0.59) ADORA1ADORA2AHSD17B10KMT2AMEN1
SCHEMBL17725226 0.84 ADORA1 (0.57) ADORA1ADORA2AHSD17B10KMT2AMEN1

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-3305771-A2 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING SAME LG Chem, Ltd. (KR) 2018-04-11 EP disclosed