SCHEMBL1431749

SCHEMBL1431749

Cc1cccc([C@H](CNC(=O)[C@H](C)N(C)C(C)C)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.40
▸ RECQL P46063 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ NAMPT P43490 2/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ KCNA5 P22460 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ CPA1 P15085 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ L3MBTL1 Q9Y468 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL1432188 0.90 MASP2 (0.39) MASP2NAMPTOPRM1ROCK2L3MBTL1
SCHEMBL1431810 0.90 MASP2 (0.39) MASP2RECQLMEN1KMT2ANAMPT
SCHEMBL1431682 0.89 MASP2 (0.40) MASP2RECQLMEN1KMT2ANAMPT
SCHEMBL1433035 0.88 F2 (0.40) MASP2OPRM1ROCK2F2
SCHEMBL1432510 0.85 MASP2 (0.38) MASP2NAMPT
SCHEMBL1432651 0.84 NAMPT (0.46) MASP2KMT2ANAMPTL3MBTL1
SCHEMBL1905895 0.84 PSEN1 (0.35) RECQLKMT2APSEN1PSEN2APH1B
SCHEMBL1900464 0.82 MASP2 (0.41) MASP2MEN1KMT2ANAMPTF2
SCHEMBL3147030 0.80 CTSB (0.43) MASP2
SCHEMBL1431746 0.80 CTSB (0.43) MASP2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP claimed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO claimed
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