SCHEMBL18800616

SCHEMBL18800616

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cnc(-c2ccc(-c3ccccc3)cc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.47
▸ TNK2 Q07912 5/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL18800492 0.99 BTK (0.48) BTKTNK2ADORA2AADORA1SCN9A
SCHEMBL18800753 0.97 BTK (0.49) BTKTNK2ADORA2AADORA1SCN9A
SCHEMBL18800564 0.94 BTK (0.47) BTKTNK2SCN9A
SCHEMBL18800747 0.92 KMT2A (0.46) BTKTNK2ADORA2AADORA1
SCHEMBL16168177 0.90 PARP10 (0.51) BTKTNK2SCN9A
SCHEMBL18800757 0.90 TNK2 (0.49) BTKTNK2SCN9A
SCHEMBL18800635 0.89 BTK (0.48) BTKTNK2ADORA2AADORA1SCN9A
SCHEMBL18800583 0.89 BTK (0.43) BTKTNK2SCN9A
SCHEMBL18800775 0.89 TNK2 (0.48) BTKTNK2ADORA2AADORA1
SCHEMBL18800776 0.89 BTK (0.49) 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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