SCHEMBL31048829

COCOc1cc(-c2ncc3c(N4C[C@H]5CC[C@@H](C4)N5C(=O)OC(C)(C)C)nc(O)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	KRAS	P01116	17/20	0.37

▸	MAPK3	P27361	1/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	JAK1	P23458	2/20	0.35

▸	JAK2	O60674	1/20	0.35

▸	TYK2	P29597	1/20	0.35

▸	JAK3	P52333	1/20	0.35

▸	RAF1	P04049	2/20	0.33

▸	GPR119	Q8TDV5	1/20	0.33

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
SCHEMBL31493993	0.95	KRAS (0.36)	KRASMAPK3MAPK1JAK1JAK2
SCHEMBL30260027	0.94	KRAS (0.36)	KRASMAPK3MAPK1JAK1JAK2
SCHEMBL25309618	0.93	KRAS (0.35)	KRASMAPK3MAPK1JAK1JAK2
SCHEMBL30149009	0.93	KRAS (0.35)	KRASMAPK3MAPK1JAK1JAK2
SCHEMBL30148998	0.93	KRAS (0.35)	KRASMAPK3MAPK1JAK1JAK2
SCHEMBL30149101	0.92	KRAS (0.38)	KRASMAPK3MAPK1JAK1JAK2
SCHEMBL31129721	0.92	KRAS (0.39)	KRASMAPK3MAPK1RAF1
SCHEMBL31129533	0.92	KRAS (0.39)	KRASMAPK3MAPK1RAF1
SCHEMBL31129339	0.92	KRAS (0.39)	KRASMAPK3MAPK1RAF1
SCHEMBL25331029	0.92	KRAS (0.40)	KRASMAPK3MAPK1RAF1

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-2024167922-A2	HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS	BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US)	2024-08-15	—	—	WO	disclosed