SCHEMBL19005707

Cn1cc(-c2nnc3n2CCN(C(=O)c2cc(Cc4n[nH]c(=O)c5ccccc45)ccc2F)C3)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PARP1	P09874	19/20	1.00

▸	TNKS	O95271	1/20	0.72

▸	PARP6	Q2NL67	1/20	0.72

▸	PARP15	Q460N3	1/20	0.72

▸	PARP14	Q460N5	1/20	0.72

▸	PARP10	Q53GL7	1/20	0.72

▸	TIPARP	Q7Z3E1	1/20	0.72

▸	PARP12	Q9H0J9	1/20	0.72

▸	TNKS2	Q9H2K2	1/20	0.72

▸	PARP11	Q9NR21	1/20	0.72

▸	PARP4	Q9UKK3	1/20	0.72

▸	PARP3	Q9Y6F1	1/20	0.72

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
SCHEMBL19005605	0.89	PARP1 (1.00)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005813	0.89	PARP1 (0.80)	PARP1
SCHEMBL19005691	0.88	PARP1 (0.79)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL30888478	0.88	PARP1 (0.79)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL21914237	0.87	PARP1 (1.00)	PARP1TNKSTIPARPTNKS2PARP3
SCHEMBL19005709	0.85	PARP1 (0.79)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005693	0.85	PARP1 (0.79)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL24891388	0.85	PARP1 (0.76)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005616	0.85	PARP1 (0.78)	PARP1TNKSPARP6PARP15PARP14
SCHEMBL19005811	0.85	PARP1 (0.76)	PARP1TNKSPARP6PARP15PARP14

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-2017101796-A1	PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF	四川科伦博泰生物医药股份有限公司	2017-06-22	—	—	WO	disclosed