SCHEMBL18800776

SCHEMBL18800776

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.49
▸ MALT1 Q9UDY8 2/20 0.40
▸ TNK2 Q07912 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ SCN9A Q15858 3/20 0.36
▸ FPR2 P25090 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
SCHEMBL18800463 0.92 BTK (0.60) BTKTNK2SCN9A
SCHEMBL18800753 0.91 BTK (0.49) BTKTNK2SCN9A
SCHEMBL18800492 0.90 BTK (0.48) BTKTNK2SCN9A
SCHEMBL18800616 0.89 BTK (0.47) BTKTNK2SCN9A
SCHEMBL18800564 0.88 BTK (0.47) BTKTNK2SCN9A
SCHEMBL18800747 0.85 KMT2A (0.46) BTKTNK2
SCHEMBL18800757 0.83 TNK2 (0.49) BTKTNK2SCN9A
SCHEMBL16168177 0.83 PARP10 (0.51) BTKTNK2SCN9A
SCHEMBL18800773 0.83 BTK (0.60) BTKTNK2
SCHEMBL18800583 0.83 BTK (0.43) 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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