SCHEMBL8514846

CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3cccc(N4CCNCC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCC(N)CC4)n3)ccc21.CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCNCC4)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	DKK1	O94907	2/20	0.49

▸	KARS1	Q15046	6/20	0.47

▸	RET	P07949	1/20	0.40

▸	DYRK1A	Q13627	1/20	0.39

▸	NMT1	P30419	1/20	0.39

▸	PIM1	P11309	6/20	0.38

▸	PRKD3	O94806	1/20	0.38

▸	PRKD1	Q15139	1/20	0.38

▸	PRKD2	Q9BZL6	1/20	0.38

▸	IRAK4	Q9NWZ3	1/20	0.37

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
SCHEMBL8515452	0.89	RARA (0.44)	KARS1PIM1IRAK4
SCHEMBL8514868	0.84	DKK1 (0.64)	DKK1KARS1RETDYRK1A
Hydrochloric Acid SCHEMBL8511494	0.83	DKK1 (0.63)	DKK1KARS1RETDYRK1A
SCHEMBL8515149	0.83	RARA (0.49)	DKK1KARS1PIM1IRAK4
Hydrochloric Acid SCHEMBL2015173	0.82	RARA (0.48)	DKK1KARS1PIM1IRAK4
Hydrochloric Acid SCHEMBL8515557	0.82	RARA (0.48)	DKK1KARS1PIM1IRAK4
SCHEMBL8512407	0.82	ADRB1 (0.44)	DKK1
SCHEMBL8514993	0.82	KARS1 (0.47)	DKK1KARS1DYRK1APIM1IRAK4
Hydrochloric Acid SCHEMBL8512430	0.81	ADRB1 (0.43)	DKK1
SCHEMBL2014630	0.81	RARA (0.51)	KARS1PIM1IRAK4

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
WO-2012069852-A1	PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE	ALMAC DISCOVERY LIMITED (GB)	2012-05-31	—	—	WO	disclosed