SCHEMBL18800866

SCHEMBL18800866

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 16/20 0.44
▸ FFAR4 Q5NUL3 8/20 0.44
▸ AKR1B1 P15121 1/20 0.43
▸ PTGER4 P35408 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PLA2G10 O15496 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ SLCO1B1 Q9Y6L6 1/20 0.40

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
SCHEMBL18800882 0.88 BTK (0.42) —
SCHEMBL18800574 0.88 BTK (0.42) PLA2G10PLA2G2A
SCHEMBL18800641 0.88 BTK (0.42) —
SCHEMBL18800748 0.85 BTK (0.42) —
SCHEMBL16168189 0.85 AURKA (0.40) FFAR1
SCHEMBL18800573 0.84 MAPK14 (0.46) FFAR1
SCHEMBL18800755 0.84 TNK2 (0.50) —
SCHEMBL18800492 0.83 BTK (0.48) —
SCHEMBL18800775 0.82 TNK2 (0.48) —
SCHEMBL16168176 0.82 BTK (0.46) —

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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