SCHEMBL1432824

SCHEMBL1432824

Cc1ccc(C[C@H](NC(=O)[C@H]2CCCN2C)C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PPIB P23284 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ ITGA4 P13612 2/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ KLKB1 P03952 1/20 0.38

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
SCHEMBL1432571 0.92 LCK (0.41) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1432532 0.92 MEN1 (0.48) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1431814 0.92 MEN1 (0.48) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1432803 0.91 CTSB (0.41) MASP2MEN1KMT2APPIBITGA4
SCHEMBL1433004 0.91 PPIB (0.43) MASP2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1433193 0.90 MEN1 (0.47) MASP2MEN1KMT2APPIBITGA4
SCHEMBL1431881 0.90 MASP2 (0.41) MASP2CYP3A4CYP2C9PKMCYP2C19
SCHEMBL1432347 0.90 MEN1 (0.47) MASP2MEN1KMT2APPIBITGA4
SCHEMBL1432452 0.89 TLR2 (0.42) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1432690 0.89 TLR2 (0.42) MASP2MEN1KMT2APPIBTACR1

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 disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 — — WO disclosed
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