SCHEMBL18800748

SCHEMBL18800748

COCc1cccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.42
▸ TNK2 Q07912 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ FYN P06241 1/20 0.40
▸ F2 P00734 2/20 0.39
▸ F10 P00742 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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 0.90 BTK (0.42) BTKTNK2MAPTNPSR1FYN
SCHEMBL18800574 0.89 BTK (0.42) BTKTNK2MAPTNPSR1F2
SCHEMBL18800641 0.89 BTK (0.42) BTKTNK2MAPTNPSR1F2
SCHEMBL18800769 0.87 ADORA2A (0.48) BTKTNK2MAPTFYNMAPK10
SCHEMBL18800775 0.86 TNK2 (0.48) BTKTNK2MAPTNPSR1LMNA
SCHEMBL18800866 0.85 FFAR1 (0.44) —
SCHEMBL16168189 0.84 AURKA (0.40) BTKTNK2
SCHEMBL18800492 0.84 BTK (0.48) BTKTNK2
SCHEMBL16168176 0.84 BTK (0.46) BTKTNK2MAPTNPSR1F10
SCHEMBL18800616 0.83 BTK (0.47) 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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