SCHEMBL18800411

SCHEMBL18800411

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)ncc(-c2ccccn2)c1N

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.56
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TNK2 Q07912 6/20 0.36
▸ SCN9A Q15858 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
SCHEMBL18800635 0.87 BTK (0.48) BTKTNK2SCN9A
SCHEMBL18800729 0.86 BTK (0.51) BTKNPC1RAB9A
SCHEMBL18800412 0.81 BTK (0.43) BTKNPC1RAB9ATNK2SCN9A
SCHEMBL18800753 0.81 BTK (0.49) BTKTNK2SCN9A
SCHEMBL18800831 0.80 TNK2 (0.50) BTKTNK2
SCHEMBL18800795 0.80 BTK (0.43) BTKTNK2SCN9A
SCHEMBL18800492 0.80 BTK (0.48) BTKTNK2SCN9A
SCHEMBL18800616 0.79 BTK (0.47) BTKTNK2SCN9A
SCHEMBL18800640 0.78 BTK (0.43) BTKNPC1RAB9ATNK2
SCHEMBL18800471 0.78 TNK2 (0.40) BTKTNK2SCN9A

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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