SCHEMBL18800562

SCHEMBL18800562

Nc1ncc(-c2ccc(Oc3ccccc3)cc2)c2c(N)n[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.72
▸ PIK3CD O00329 1/20 0.48
▸ NUDT14 O95848 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PRKDC P78527 1/20 0.48
▸ NUDT5 Q9UKK9 1/20 0.48

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
SCHEMBL6115775 0.90 BTK (0.89) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL1162679 0.88 BTK (0.87) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL1163040 0.86 BTK (0.65) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL8402016 0.84 BTK (1.00) BTK
SCHEMBL6116414 0.84 BTK (1.00) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL8401927 0.84 BTK (0.80) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL6116297 0.84 BTK (0.80) BTK
SCHEMBL6116511 0.83 BTK (0.77) BTKPIK3CDNUDT14PIK3CAPIK3CB
SCHEMBL6115741 0.83 BTK (0.78) BTK
SCHEMBL16161557 0.83 BTK (0.78) BTKPIK3CDNUDT14PIK3CAPIK3CB

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-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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