SCHEMBL18800641

SCHEMBL18800641

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2cccc(CN)c2)c1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.42
▸ TNK2 Q07912 1/20 0.40
▸ ST14 Q9Y5Y6 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ CFD P00746 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ FGFR2 P21802 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ PLAU P00749 1/20 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
SCHEMBL18800882 0.93 BTK (0.42) BTKTNK2MAPTNPSR1NR1H2
SCHEMBL18800574 0.92 BTK (0.42) BTKTNK2MAPTNPSR1NR1H2
SCHEMBL18800748 0.89 BTK (0.42) BTKTNK2MAPTNPSR1NR1H2
SCHEMBL18800866 0.88 FFAR1 (0.44) —
SCHEMBL18800492 0.87 BTK (0.48) BTKTNK2
SCHEMBL18800775 0.86 TNK2 (0.48) BTKTNK2MAPTNPSR1
SCHEMBL18800616 0.86 BTK (0.47) BTKTNK2
SCHEMBL18800753 0.86 BTK (0.49) BTKTNK2
SCHEMBL18800769 0.85 ADORA2A (0.48) BTKTNK2MAPT
SCHEMBL16168189 0.85 AURKA (0.40) BTKTNK2

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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