SCHEMBL1431881

SCHEMBL1431881

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PPIB P23284 1/20 0.38
▸ TACR1 P25103 1/20 0.38
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ KIT P10721 1/20 0.37

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
SCHEMBL1432069 0.92 MEN1 (0.49) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1431863 0.90 MEN1 (0.48) MASP2MEN1KMT2APPIBITGB1
SCHEMBL1432824 0.90 MASP2 (0.41) MASP2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL1431634 0.89 MEN1 (0.41) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1432518 0.89 MEN1 (0.41) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1432215 0.88 TACR1 (0.45) MASP2TACR1
SCHEMBL1431630 0.88 TACR1 (0.43) MASP2MEN1KMT2APPIBTACR1
SCHEMBL1433005 0.87 CTSV (0.47) MASP2KMT2ATACR1ITGB1ITGA4
SCHEMBL1432054 0.87 MEN1 (0.40) MASP2MEN1KMT2APPIB
SCHEMBL1432208 0.86 TACR1 (0.44) 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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