SCHEMBL18800795

SCHEMBL18800795

Cc1cnc(-c2ccc(Oc3ccccc3)cc2)c(C(=N)N)c1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.43
▸ TNK2 Q07912 8/20 0.39
▸ NUDT14 O95848 1/20 0.39
▸ NUDT5 Q9UKK9 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL18800471 0.85 TNK2 (0.40) BTKTNK2NUDT14NUDT5SCN9A
SCHEMBL18800635 0.85 BTK (0.48) BTKTNK2SCN9A
SCHEMBL18800648 0.81 BTK (0.38) BTKSCN9A
SCHEMBL18800753 0.81 BTK (0.49) BTKTNK2SCN9A
SCHEMBL18800770 0.80 BTK (0.57) BTKTNK2
SCHEMBL18800411 0.80 BTK (0.56) BTKTNK2SCN9A
SCHEMBL18800492 0.80 BTK (0.48) BTKTNK2SCN9A
SCHEMBL18800616 0.79 BTK (0.47) BTKTNK2SCN9A
SCHEMBL18800747 0.78 KMT2A (0.46) BTKTNK2
SCHEMBL18800765 0.78 BTK (0.41) BTKTNK2NUDT14NUDT5SCN9A

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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