SCHEMBL1432069

SCHEMBL1432069

CC(C)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MASP2 O00187 3/20 0.41
▸ PPIB P23284 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ AADAT Q8N5Z0 2/20 0.38
▸ TACR1 P25103 2/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 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
SCHEMBL1431863 0.97 MEN1 (0.48) MEN1KMT2AMASP2PPIBNAMPT
SCHEMBL1431881 0.92 MASP2 (0.41) MEN1KMT2AMASP2PPIBTACR1
SCHEMBL1431634 0.92 MEN1 (0.41) MEN1KMT2AMASP2PPIBALDH1A1
SCHEMBL1432518 0.92 MEN1 (0.41) MEN1KMT2AMASP2PPIBALDH1A1
SCHEMBL1432532 0.90 MEN1 (0.48) MEN1KMT2AMASP2PPIBNAMPT
SCHEMBL1431814 0.90 MEN1 (0.48) MEN1KMT2AMASP2PPIBNAMPT
SCHEMBL1432054 0.89 MEN1 (0.40) MEN1KMT2AMASP2PPIBNAMPT
SCHEMBL1432208 0.89 TACR1 (0.44) MEN1KMT2AMASP2PPIBTACR1
SCHEMBL1432980 0.88 MEN1 (0.47) MEN1KMT2AMASP2PPIBNAMPT
SCHEMBL1431973 0.88 MEN1 (0.47) MEN1KMT2AMASP2PPIBNAMPT

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
Send feedback