Formic Acid

SCHEMBL3249581

CCOC(=O)c1c[nH]c2c(=O)[nH]c3ccc(-c4ccnc(N(C)CCN(C)C)n4)cc3c12.O=CO

nearest known ligand 0.36

Predicted protein targets (top 14)

	gene	UniProt	supporting neighbours	confidence
▸	JAK3	P52333	11/20	0.36

▸	JAK2	O60674	10/20	0.36

▸	PIM1	P11309	3/20	0.36

▸	PIM3	Q86V86	1/20	0.36

▸	PIM2	Q9P1W9	1/20	0.36

▸	GABRA1	P14867	2/20	0.34

▸	GABRB2	P47870	2/20	0.34

▸	NPC1	O15118	1/20	0.34

▸	GABRB1	P18505	1/20	0.34

▸	GABRA3	P34903	1/20	0.34

▸	CLEC4M	Q9H2X3	1/20	0.33

▸	MMP2	P08253	1/20	0.33

▸	MMP13	P45452	1/20	0.33

▸	MMP14	P50281	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
SCHEMBL13928213	0.97	JAK2 (0.38)	JAK3JAK2PIM1PIM3PIM2
SCHEMBL3247681	0.88	JAK2 (0.42)	JAK3JAK2GABRA1GABRB2NPC1
SCHEMBL3249166	0.86	PIM1 (0.40)	PIM1PIM3PIM2
Formic Acid SCHEMBL3249548	0.84	JAK3 (0.40)	JAK3JAK2GABRA1GABRB2NPC1
SCHEMBL3253182	0.84	JAK2 (0.43)	JAK3JAK2PIM1PIM3PIM2
Formic Acid SCHEMBL4159384	0.82	PIM1 (0.36)	PIM1PIM3PIM2
SCHEMBL13928212	0.81	AURKA (0.42)	JAK3JAK2GABRA1GABRB2NPC1
SCHEMBL3242013	0.80	PDPK1 (0.43)	JAK3JAK2GABRA1GABRB2NPC1
SCHEMBL4159388	0.79	PIM1 (0.36)	PIM1PIM3PIM2
SCHEMBL4174413	0.79	PIM1 (0.41)	PIM1PIM3PIM2

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
EP-1899335-B1	PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS	PF MEDICAMENT (FR)	2010-05-19	—	—	EP	claimed