SCHEMBL28876900

SCHEMBL28876900

CN(C(=O)N[C@@H]1CCCN(c2cncc(Nc3ccccc3)n2)C1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.60
▸ PKM P14618 1/20 0.49
▸ JAK3 P52333 12/20 0.48
▸ LCK P06239 7/20 0.47
▸ EGFR P00533 6/20 0.47

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
SCHEMBL16763621 0.81 BTK (0.85) BTKJAK3LCKEGFR
SCHEMBL16764628 0.81 BTK (0.85) BTKJAK3LCKEGFR
SCHEMBL28323995 0.81 BTK (0.64) BTKJAK3LCKEGFR
SCHEMBL28322909 0.79 BTK (0.45) BTKJAK3LCKEGFR
SCHEMBL16764257 0.76 BTK (0.64) BTKPKMJAK3LCKEGFR
SCHEMBL16764258 0.76 BTK (0.64) BTKPKMJAK3LCKEGFR
SCHEMBL16763989 0.75 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763983 0.75 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763985 0.75 BTK (1.00) BTKJAK3LCKEGFR
SCHEMBL16763986 0.75 BTK (1.00) BTKJAK3LCKEGFR

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
CN-105960404-B The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2019-09-03 — — CN disclosed
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