SCHEMBL13634893

SCHEMBL13634893

COCCN(C)c1nc(C(=O)Nc2ccc(N3CCC[C@@H]3COC)cc2C(=O)O)cs1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.38
ADORA1 P30542 8/20 0.38
NMT1 P30419 2/20 0.38
MAP4K1 Q92918 1/20 0.38
SYK P43405 2/20 0.37
F10 P00742 1/20 0.37
FPR1 P21462 3/20 0.36
FPR2 P25090 3/20 0.36
S1PR1 P21453 1/20 0.36
CHEK1 O14757 1/20 0.35
PIM2 Q9P1W9 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
SCHEMBL13270438 0.94 ADORA2A (0.38) ADORA2AADORA1NMT1MAP4K1SYK
SCHEMBL13638906 0.92 F10 (0.37) ADORA2AADORA1NMT1MAP4K1SYK
SCHEMBL13634862 0.90 S1PR1 (0.37) ADORA2AADORA1NMT1MAP4K1SYK
SCHEMBL13634780 0.86 S1PR1 (0.48) MAP4K1S1PR1CHEK1
SCHEMBL13634521 0.86 JAK2 (0.35) F10S1PR1CHEK1
SCHEMBL13634939 0.85 MAP4K1 (0.38) ADORA2AADORA1NMT1MAP4K1SYK
SCHEMBL13634788 0.80 S1PR1 (0.48) MAP4K1S1PR1
SCHEMBL13638884 0.79 S1PR1 (0.47) S1PR1
SCHEMBL13638928 0.79 S1PR1 (0.48) MAP4K1S1PR1
SCHEMBL13634589 0.79 MAP4K1 (0.38) ADORA2AADORA1NMT1MAP4K1SYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed