SCHEMBL24523736

SCHEMBL24523736

CC(C)c1cccc(C(C)C)c1-c1cc2c3ccc(C#N)cc3n3c4cc(C#N)ccc4c(c1)c23

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.35
BRD1 O95696 2/20 0.32
BRPF1 P55201 2/20 0.32
BRPF3 Q9ULD4 2/20 0.32
ENPP3 O14638 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CHEK1 O14757 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL24523743 0.83 RXFP1 (0.37) DPP4ENPP3RXFP1CHEK1
SCHEMBL24523814 0.81 DPP4 (0.32) DPP4NR3C1PGRNR3C2
SCHEMBL24523831 0.80 ENPP3 (0.37) ENPP3CHEK1
SCHEMBL24523734 0.78 MEN1 (0.40) DPP4ENPP3
SCHEMBL23820038 0.78 ROCK2 (0.35) DPP4
SCHEMBL24523719 0.76 MEN1 (0.39) DPP4ENPP3
SCHEMBL28345512 0.75 KIF11 (0.41)
SCHEMBL24523804 0.75 GABRA1 (0.39) ENPP3CHEK1
SCHEMBL24523722 0.75 MEN1 (0.38) DPP4ENPP3
SCHEMBL24523724 0.75 GABRA1 (0.39) ENPP3CHEK1

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
WO-2022129116-A1 INDOLO[3.2.1-JK]CARBAZOLE-6-CARBONITRILE DERIVATIVES AS BLUE FLUORESCENT EMITTERS FOR USE IN OLEDS MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed