SCHEMBL27916041

CC(C(=O)C(C)N1CCN(Cc2ccc(Nc3ncc4ccn(-c5ccc(S(C)(=O)=O)cc5)c4n3)cc2)CC1)N1CCN(Cc2ccc(Nc3ncc4ccn(-c5ccc(S(C)(=O)=O)cc5)c4n3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	JAK2	O60674	13/20	0.50

▸	HDAC6	Q9UBN7	2/20	0.50

▸	AURKA	O14965	1/20	0.50

▸	CDK4	P11802	1/20	0.50

▸	BRD4	O60885	8/20	0.48

▸	PTK2	Q05397	4/20	0.47

▸	JAK3	P52333	3/20	0.47

▸	FGFR4	P22455	1/20	0.46

▸	SYK	P43405	1/20	0.43

▸	STAT6	P42226	2/20	0.43

▸	AXL	P30530	1/20	0.43

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
SCHEMBL1655002	0.88	JAK2 (0.54)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL3403256	0.88	AURKA (0.52)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL1655049	0.87	AURKA (0.64)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL1655187	0.87	AURKA (0.54)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL4293250	0.86	AURKA (0.56)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL3399195	0.85	AURKA (0.55)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL1655013	0.85	JAK2 (0.61)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL3399191	0.84	JAK2 (0.62)	JAK2HDAC6AURKACDK4BRD4
SCHEMBL27915953	0.84	JAK2 (0.52)	JAK2CDK4BRD4PTK2JAK3
SCHEMBL4292070	0.83	JAK2 (0.50)	JAK2HDAC6AURKACDK4BRD4

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
CN-101981036-B	Pyrrolo [2, 3-D] pyridines and use thereof as tyrosine kinase inhibitors	NOVARTIS AG	2013-09-04	—	—	CN	disclosed