SCHEMBL1724040

NC1CN(c2ncc3cc(-c4ccc(F)cc4)sc3n2)CCN1.Nc1nc(N2CC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c2cc(-c3ccc(F)cc3)sc2n1

nearest known ligand 0.37

Predicted protein targets (top 15)

	gene	UniProt	supporting neighbours	confidence
▸	PAK1	Q13153	1/20	0.37

▸	HRH4	Q9H3N8	4/20	0.35

▸	CNR1	P21554	1/20	0.35

▸	CNR2	P34972	1/20	0.35

▸	CCNE1	P24864	4/20	0.35

▸	CDK2	P24941	4/20	0.35

▸	CHEK1	O14757	1/20	0.35

▸	DRD2	P14416	2/20	0.34

▸	DRD4	P21917	2/20	0.34

▸	HTR2A	P28223	1/20	0.34

▸	PPARA	Q07869	5/20	0.34

▸	PPARD	Q03181	2/20	0.34

▸	PPARG	P37231	1/20	0.34

▸	BTK	Q06187	1/20	0.33

▸	ACKR3	P25106	1/20	0.32

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
SCHEMBL653993	0.86	DRD2 (0.44)	PAK1HRH4CNR1CNR2DRD2
SCHEMBL653994	0.86	DRD2 (0.44)	PAK1HRH4CNR1CNR2DRD2
SCHEMBL1694125	0.80	ATF4 (0.40)	PAK1CNR1CNR2DRD2DRD4
SCHEMBL652787	0.79	DRD2 (0.46)	HRH4CNR2DRD2DRD4HTR2A
SCHEMBL652788	0.79	DRD2 (0.46)	HRH4CNR2DRD2DRD4HTR2A
SCHEMBL655041	0.77	USP2 (0.35)	HRH4
SCHEMBL652168	0.76	ATF4 (0.43)	HRH4
SCHEMBL652167	0.76	ATF4 (0.43)	HRH4
SCHEMBL794422	0.75	HRH4 (0.46)	HRH4CNR1CNR2PPARAPPARD
SCHEMBL1694133	0.74	HRH4 (0.45)	HRH4CHEK1

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-2405973-A2	THIAZOLOPYRIMIDINE MODULATORS AS IMMUNOSUPPRESSIVE AGENTS	Katholieke Universiteit Leuven, K.U. Leuven R&D (BE)	2012-01-18	—	—	EP	disclosed