SCHEMBL18800771

SCHEMBL18800771

CSNCc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c2N)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.39
▸ OPRM1 P35372 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ OPRK1 P41145 2/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ TNK2 Q07912 3/20 0.36
▸ NR1H2 P55055 2/20 0.34
▸ NR1H3 Q13133 2/20 0.34
▸ DHFR P00374 1/20 0.33

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
SCHEMBL18800883 0.86 MAPK14 (0.40) BTKOPRM1OPRD1OPRK1
SCHEMBL18800753 0.85 BTK (0.49) BTKTNK2
SCHEMBL18800768 0.85 BTK (0.45) BTKOPRM1OPRD1OPRK1
SCHEMBL18800492 0.84 BTK (0.48) BTKTNK2
SCHEMBL18800616 0.83 BTK (0.47) BTKTNK2
SCHEMBL18800747 0.82 KMT2A (0.46) BTKTNK2
SCHEMBL18800564 0.82 BTK (0.47) BTKTNK2
SCHEMBL18800575 0.80 BTK (0.45) BTKTNK2
SCHEMBL16168177 0.79 PARP10 (0.51) BTKTNK2
SCHEMBL18800757 0.79 TNK2 (0.49) 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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