SCHEMBL16161460

SCHEMBL16161460

Cc1ccccc1Nc1ncc(-c2ccccc2O)c2c(N)n[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.66
▸ KDR P35968 6/20 0.46
▸ KIT P10721 4/20 0.46
▸ FLT3 P36888 3/20 0.46
▸ PIK3CD O00329 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ PIK3CB P42338 2/20 0.39
▸ PIK3CG P48736 2/20 0.39
▸ PRKDC P78527 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 2/20 0.36

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
SCHEMBL8402297 0.92 BTK (0.72) BTKKDRKITFLT3PIK3CD
SCHEMBL8402292 0.85 BTK (0.80) BTKKDRKITFLT3MAP4K4
SCHEMBL6116183 0.85 BTK (0.73) BTKKDRKITFLT3GAA
SCHEMBL6115528 0.83 BTK (0.72) BTKKDRKITFLT3PIK3CD
SCHEMBL8402340 0.82 BTK (0.66) BTKKDRKITFLT3PIK3CD
SCHEMBL6115834 0.81 BTK (0.74) BTKKDRKITFLT3PIK3CD
SCHEMBL8402304 0.80 BTK (0.74) BTKKDRKITFLT3PIK3CD
SCHEMBL1163758 0.80 BTK (1.00) BTKKDRKITFLT3KMT2A
SCHEMBL8402320 0.79 BTK (0.83) BTKKDRKITFLT3PIK3CD
SCHEMBL6115729 0.79 BTK (0.69) BTKKDRKITFLT3PLK4

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
EP-2789615-A1 Azaindazoles as Btk kinase modulators and use thereof Bristol-Myers Squibb Company (US) 2014-10-15 — — EP claimed
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