SCHEMBL22563498

Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5ccc(C)cc5)cc4c4cc(-c5cc(-c6ccc7c8ccccc8n(-c8cc(-c9nc(C)cc(C)n9)cc(-n9c%10ccccc%10c%10ccc(-c%11ccc(C)c(-c%12ccc(-c%13ccc%14c(c%13)c%13cc(-c%15cccc(C)c%15)ccc%13n%14-c%13cc(-c%14nc(-c%15ccccc%15)cc(-c%15ccccc%15)n%14)cc(-n%14c%15ccc(-c%16cccc(C)c%16)cc%15c%15cc(-c%16cccc(C)c%16)ccc%15%14)c%13C#N)cc%12C)c%11)cc%109)c8C#N)c7c6)ccc5C)ccc43)c2C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	ADORA2A	P29274	2/20	0.37

▸	ADORA1	P30542	2/20	0.37

▸	KDM4E	B2RXH2	1/20	0.34

▸	HPGD	P15428	1/20	0.34

▸	PPARG	P37231	1/20	0.34

▸	NCOA2	Q15596	1/20	0.34

▸	NCOA1	Q15788	1/20	0.34

▸	NPSR1	Q6W5P4	1/20	0.34

▸	NCOA3	Q9Y6Q9	1/20	0.34

▸	MAPT	P10636	1/20	0.31

▸	KDM4A	O75164	1/20	0.30

▸	KDM5B	Q9UGL1	1/20	0.30

▸	ALDH1A1	P00352	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.

Compound	similarity	top predicted	shared targets
SCHEMBL21278836	0.93	ADORA2A (0.35)	ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19909194	0.92	ADORA2A (0.38)	ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL22562578	0.91	ADORA1 (0.38)	ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19942682	0.90	ADORA2A (0.33)	ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL19908980	0.87	ADORA2A (0.33)	ADORA2AADORA1KDM4AKDM5B
SCHEMBL22563549	0.86	SQOR (0.36)	ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL21546849	0.85	ELANE (0.31)	ADORA2AADORA1KDM4EHPGDALDH1A1
SCHEMBL21414278	0.85	ADORA2A (0.30)	ADORA2AADORA1
SCHEMBL23487281	0.85	ADORA1 (0.39)	ADORA2AADORA1KDM4EHPGDPPARG
SCHEMBL23487311	0.83	KDM4E (0.42)	ADORA2AADORA1KDM4EHPGDPPARG

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3580300-B1	ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES	CYNORA GMBH (DE)	2020-10-21	—	—	EP	disclosed