SCHEMBL1431888

SCHEMBL1431888

CN1CCC[C@@H]1C(=O)N[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MASP2 O00187 3/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PPIB P23284 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ F2 P00734 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ FURIN P09958 1/20 0.34

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
SCHEMBL1432532 0.90 MEN1 (0.48) MASP2MEN1KMT2APPIBTLR2
SCHEMBL1431814 0.90 MEN1 (0.48) MASP2MEN1KMT2APPIBTLR2
SCHEMBL1432690 0.89 TLR2 (0.42) MASP2MEN1KMT2APPIBTLR2
SCHEMBL1432452 0.89 TLR2 (0.42) MASP2MEN1KMT2APPIBTLR2
SCHEMBL1431638 0.89 DPP4 (0.40) MASP2MEN1KMT2APPIBDPP4
SCHEMBL1432180 0.89 DPP4 (0.40) MASP2MEN1KMT2APPIBDPP4
Hydrochloric Acid SCHEMBL1432515 0.88 DPP4 (0.40) MASP2MEN1KMT2APPIBDPP4
SCHEMBL1433193 0.88 MEN1 (0.47) MASP2MEN1KMT2APPIBTLR2
SCHEMBL1432347 0.88 MEN1 (0.47) MASP2MEN1KMT2APPIBTLR2
SCHEMBL1432824 0.88 MASP2 (0.41) 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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