SCHEMBL16168176

SCHEMBL16168176

CS(=O)(=O)NCc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.46
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ CPT2 P23786 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ TNK2 Q07912 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ PIK3CD O00329 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ AAK1 Q2M2I8 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
SCHEMBL18800768 0.91 BTK (0.45) BTKSCN9A
SCHEMBL16168189 0.87 AURKA (0.40) BTKAURKAAURKBCPT2CPT1A
SCHEMBL18800882 0.85 BTK (0.42) BTKTNK2MAPTNPSR1
SCHEMBL18800573 0.84 MAPK14 (0.46) BTKF10
SCHEMBL18800641 0.84 BTK (0.42) BTKTNK2MAPTNPSR1
SCHEMBL18800574 0.84 BTK (0.42) BTKTNK2MAPTNPSR1
SCHEMBL18800748 0.84 BTK (0.42) BTKTNK2MAPTNPSR1F10
SCHEMBL18800751 0.84 BTK (0.46) BTKTNK2
SCHEMBL18800622 0.83 GRM2 (0.39) BTKBRD4
SCHEMBL18800866 0.82 FFAR1 (0.44) —

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