SCHEMBL18800463

SCHEMBL18800463

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.60
▸ ATR Q13535 1/20 0.41
▸ DYRK1A Q13627 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ TRPC5 Q9UL62 1/20 0.38
▸ TNK2 Q07912 1/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ KCNA5 P22460 1/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.37

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
SCHEMBL18800776 0.92 BTK (0.49) BTKSCN9ATNK2
SCHEMBL18800773 0.88 BTK (0.60) BTKADORA2AADORA1NR1H2NR1H3
SCHEMBL18800769 0.87 ADORA2A (0.48) BTKADORA2AADORA1TNK2
SCHEMBL18800492 0.86 BTK (0.48) BTKADORA2AADORA1SCN9ATNK2
SCHEMBL18800775 0.85 TNK2 (0.48) BTKADORA2AADORA1TNK2
SCHEMBL18800616 0.85 BTK (0.47) BTKADORA2AADORA1SCN9ATNK2
SCHEMBL18800753 0.85 BTK (0.49) BTKADORA2AADORA1SCN9ATNK2
SCHEMBL18800882 0.84 BTK (0.42) BTKATRNR1H2NR1H3TNK2
SCHEMBL18800641 0.83 BTK (0.42) BTKNR1H2NR1H3TNK2
SCHEMBL18800755 0.83 TNK2 (0.50) 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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