SCHEMBL13638906

SCHEMBL13638906

COCCNC(=O)c1cc(N2CCC[C@@H]2COC)ccc1NC(=O)c1csc(N(C)CCOC)n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.37
ADORA2A P29274 8/20 0.37
ADORA1 P30542 8/20 0.37
NMT1 P30419 1/20 0.36
MAP4K1 Q92918 1/20 0.36
SYK P43405 1/20 0.35
JAK2 O60674 2/20 0.35
NTRK1 P04629 2/20 0.35
FPR1 P21462 3/20 0.35
FPR2 P25090 3/20 0.35
ACKR3 P25106 1/20 0.35
S1PR1 P21453 1/20 0.35
PIM2 Q9P1W9 1/20 0.33

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
SCHEMBL13634862 0.96 S1PR1 (0.37) F10ADORA2AADORA1NMT1MAP4K1
SCHEMBL13634521 0.94 JAK2 (0.35) F10JAK2NTRK1ACKR3S1PR1
SCHEMBL13634893 0.92 ADORA2A (0.38) F10ADORA2AADORA1NMT1MAP4K1
SCHEMBL13270438 0.92 ADORA2A (0.38) F10ADORA2AADORA1NMT1MAP4K1
SCHEMBL13638884 0.87 S1PR1 (0.47) ACKR3S1PR1
SCHEMBL13634595 0.83 S1PR1 (0.49) ACKR3S1PR1
SCHEMBL13162957 0.80 S1PR1 (0.42) ACKR3S1PR1
SCHEMBL13638990 0.79 MAP4K1 (0.38) F10ADORA2AADORA1MAP4K1SYK
SCHEMBL13634780 0.79 S1PR1 (0.48) MAP4K1ACKR3S1PR1
SCHEMBL13634788 0.79 S1PR1 (0.48) MAP4K1S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed