SCHEMBL13348795

SCHEMBL13348795

CN(C(=O)OC(C)(C)C)c1nc(NC(=O)C(F)(F)F)c(-c2ccc(F)c(C#N)c2)c2c1ncn2C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 5/20 0.32
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
CACNA1H O95180 2/20 0.30
GPR119 Q8TDV5 1/20 0.30
ABL1 P00519 1/20 0.30
NSD2 O96028 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL12344413 0.87 NPC1 (0.36) EGLN2NPC1MAPTRAB9AKMT2A
SCHEMBL2768010 0.86 AR (0.31) AR
SCHEMBL13348785 0.86 GPR119 (0.33) EGLN2IKBKBCHUKAAK1GPR119
SCHEMBL12344628 0.85 JAK2 (0.33) IKBKBCHUK
SCHEMBL2767744 0.82 IKBKB (0.44) IKBKBCHUK
SCHEMBL12344354 0.81 TGFBR1 (0.35) IKBKBCHUK
SCHEMBL12344316 0.80 CHUK (0.37) IKBKBCHUK
SCHEMBL2768634 0.78 MAPT (0.31) NPC1MAPTRAB9AKMT2AIKBKB
SCHEMBL2766844 0.77 JAK2 (0.33)
SCHEMBL12341949 0.76

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-7737279-B2 1,6-dihydro-1,3,5,6-tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-15 US disclosed