SCHEMBL20962197

SCHEMBL20962197

CC(C)(C)C(=O)N1CCCC(c2nc(Br)c3c(N)nccn23)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.49
▸ TNK2 Q07912 5/20 0.47
▸ FGFR1 P11362 4/20 0.43
▸ FGFR4 P22455 4/20 0.43
▸ FGFR3 P22607 2/20 0.43
▸ KCNH2 Q12809 1/20 0.43

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
SCHEMBL14631159 0.87 TNK2 (0.48) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL18283348 0.87 TNK2 (0.48) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL16748869 0.87 TNK2 (0.60) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL18345263 0.87 TNK2 (0.60) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL20962359 0.86 BTK (0.51) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL20962403 0.86 BTK (0.47) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL14630474 0.84 TNK2 (0.47) TNK2FGFR1FGFR4FGFR3
SCHEMBL20962424 0.84 BTK (0.47) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL20962382 0.84 TNK2 (0.46) BTKTNK2FGFR1FGFR4FGFR3
SCHEMBL20962334 0.83 TNK2 (0.53) BTKTNK2FGFR1FGFR4FGFR3

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-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 — — EP disclosed
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