SCHEMBL18800482

SCHEMBL18800482

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.40
▸ TNK2 Q07912 3/20 0.36
▸ GSTP1 P09211 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ TRIM24 O15164 1/20 0.34
▸ TRIM33 Q9UPN9 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
SCHEMBL18800583 0.90 BTK (0.43) BTKTNK2GSTP1
SCHEMBL18800492 0.86 BTK (0.48) BTKTNK2
SCHEMBL18800775 0.85 TNK2 (0.48) BTKTNK2
SCHEMBL18800616 0.85 BTK (0.47) BTKTNK2
SCHEMBL18800753 0.85 BTK (0.49) BTKTNK2
SCHEMBL18800755 0.85 TNK2 (0.50) BTKTNK2
SCHEMBL18800574 0.85 BTK (0.42) BTKTNK2
SCHEMBL18800769 0.85 ADORA2A (0.48) BTKTNK2
SCHEMBL18800882 0.84 BTK (0.42) BTKTNK2
SCHEMBL18800586 0.83 BTK (0.43) 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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