SCHEMBL22101162

SCHEMBL22101162

CC(C)(C)c1nc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4)nc3c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ACACA Q13085 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TOP1 P11387 2/20 0.36
SQOR Q9Y6N5 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL23942 0.80 TOP1 (0.50) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL13458968 0.80 ACACA (0.46) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL595855 0.80 ADORA2A (0.45) ADORA2AADORA1ACACAMEN1KMT2A
SCHEMBL3699823 0.78 KIF11 (0.45) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL13458710 0.78 KIF11 (0.45) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL13458767 0.78 KIF11 (0.45) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL12112655 0.78 ACACA (0.51) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL27752791 0.78 TOP1 (0.49) ADORA3ADORA2AADORA1ACACAMEN1
SCHEMBL10000975 0.77 MEN1 (0.45) ADORA2AADORA1ACACAMEN1KMT2A
SCHEMBL17899330 0.77 ACACA (0.50) ADORA2AADORA1ACACAMEN1KMT2A

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-3667755-A1 ORGANIC LIGHT EMITTING DEVICE, A METHOD FOR MANUFACTURING THE SAME AND A COMPOSITION FOR USE THEREIN Novaled GmbH (DE) 2020-06-17 EP disclosed