SCHEMBL13666809

SCHEMBL13666809

Bc1c[nH]c2nc(Cl)nc(NC3CCC3)c12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.42
KMT2A Q03164 1/20 0.40
ADORA3 P0DMS8 9/20 0.37
ADORA1 P30542 8/20 0.37
ADORA2A P29274 7/20 0.37
AXL P30530 1/20 0.36
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
ADORA2B P29275 1/20 0.35
PDE4A P27815 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
SCHEMBL1017289 0.85 CHUK (0.44) CHUKKMT2AJAK3BTK
SCHEMBL1015217 0.84 KMT2A (0.51) CHUKKMT2AADORA3ADORA1ADORA2A
SCHEMBL1020910 0.83 CHUK (0.45) CHUKKMT2AADORA3ADORA1ADORA2A
SCHEMBL30861039 0.79 CHUK (0.42) CHUKKMT2AJAK3BTK
SCHEMBL24059429 0.77 IRAK4 (0.49) CHUKKMT2AAXLPDE4A
SCHEMBL22280370 0.73 IRAK4 (0.54) CHUKKMT2A
SCHEMBL20343974 0.73 CHUK (0.65) CHUKJAK3BTK
Hydrochloric Acid SCHEMBL22496920 0.72 CCNT1 (0.42) JAK3
Hydrochloric Acid SCHEMBL22496922 0.72 CCNT1 (0.42) JAK3
SCHEMBL13666810 0.71 CHUK (0.38) CHUK

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
WO-2009131687-A2 INHIBITORS OF PROTEIN KINASES PORTOLA PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed