SCHEMBL23020162

SCHEMBL23020162

N#Cc1cc(-c2ccc(-c3ccccn3)cc2)cc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5ccccc5n4)cc3)c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ATM Q13315 1/20 0.44
ABCG2 Q9UNQ0 4/20 0.42
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
ADORA2A P29274 1/20 0.42
GRM5 P41594 7/20 0.41
MAPK1 P28482 2/20 0.40
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL23020137 0.91 GRM5 (0.49) MEN1KMT2AABCG2CYP1A2ALDH1A1
SCHEMBL23020430 0.88 GRM5 (0.52) MEN1KMT2AABCG2CYP1A2ALDH1A1
SCHEMBL23020243 0.87 KMT2A (0.46) MEN1KMT2AATMCYP1A2ALDH1A1
SCHEMBL22652775 0.86 MAPK1 (0.48) ABCG2ALDH1A1TSHRHSD17B10LMNA
SCHEMBL23020076 0.86 GRM5 (0.47) MEN1KMT2AABCG2CYP1A2ALDH1A1
SCHEMBL23020110 0.85 CYP1A2 (0.42) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL22652772 0.85 ADORA2A (0.55) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL23020112 0.84 MEN1 (0.48) MEN1KMT2AATMABCG2CYP1A2
SCHEMBL17306499 0.84 KMT2A (0.54) MEN1KMT2AATMALDH1A1TSHR
SCHEMBL17306498 0.84 KMT2A (0.54) MEN1KMT2AATMALDH1A1TSHR

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-3392242-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2021-02-24 EP disclosed