SCHEMBL14905992

COC(=O)[C@H](CC[C@@H](C[C@H]1O[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)[C@@H](OC(C)=O)C1OC(C)=O)N(Cc1ccccc1)C(=O)OCc1ccccc1)NC(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PRMT6	Q96LA8	1/20	0.52

▸	PRKAB2	O43741	1/20	0.42

▸	PRKAG1	P54619	1/20	0.42

▸	PRKAA2	P54646	1/20	0.42

▸	PRKAA1	Q13131	1/20	0.42

▸	PRKAG3	Q9UGI9	1/20	0.42

▸	PRKAG2	Q9UGJ0	1/20	0.42

▸	PRKAB1	Q9Y478	1/20	0.42

▸	ACHE	P22303	2/20	0.39

▸	ADORA1	P30542	2/20	0.36

▸	P2RY12	Q9H244	9/20	0.36

▸	P2RY2	P41231	1/20	0.34

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
SCHEMBL14905960	0.87	PRMT6 (0.51)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156879	0.87	PRMT6 (0.51)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905928	0.86	PRMT6 (0.51)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905924	0.85	PRMT6 (0.50)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905966	0.83	PRMT6 (0.51)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16156829	0.83	PRMT6 (0.51)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL14905929	0.83	PRMT6 (0.58)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL17921731	0.83	PRMT6 (0.58)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16154139	0.81	PRMT6 (0.49)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL16154107	0.80	PRMT6 (0.59)	PRMT6PRKAB2PRKAG1PRKAA2PRKAA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2771343-B1	METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER	SLOAN KETTERING INST CANCER (US)	2016-07-13	—	—	EP	disclosed
WO-2013063417-A1	METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER	MEMORIAL SLOAN-KETTERING CANCER CENTER (US)	2013-05-02	—	—	WO	disclosed