SCHEMBL29676609

SCHEMBL29676609

CC(C)(C)C1CCN(Cc2ccc(-c3ccnc(Nc4cnn([C@H]5CCNC5)c4)n3)cc2C(F)(F)F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.48
▸ IKBKE Q14164 2/20 0.48
▸ TBK1 Q9UHD2 2/20 0.48
▸ MYLK4 Q86YV6 2/20 0.48
▸ STK17A Q9UEE5 2/20 0.48
▸ CD69 Q07108 1/20 0.41
▸ ABL1 P00519 5/20 0.41
▸ LYN P07948 3/20 0.41
▸ BCR P11274 3/20 0.41
▸ RIPK2 O43353 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ ARAF P10398 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ EPHA2 P29317 1/20 0.41
▸ EPHB2 P29323 1/20 0.41
▸ CSK P41240 1/20 0.41

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
SCHEMBL16794497 0.88 BTK (0.65) BTKIKBKETBK1MYLK4STK17A
SCHEMBL16814232 0.88 BTK (0.65) BTKIKBKETBK1MYLK4STK17A
SCHEMBL16794113 0.88 BTK (0.65) BTKIKBKETBK1MYLK4STK17A
SCHEMBL29676473 0.88 BTK (0.65) BTKIKBKETBK1MYLK4STK17A
SCHEMBL18170391 0.80 BTK (0.70) BTKIKBKETBK1MYLK4STK17A
SCHEMBL16794252 0.78 BTK (0.70) BTKCD69
SCHEMBL16794059 0.78 BTK (0.69) BTKCD69
SCHEMBL16794456 0.77 BTK (0.68) BTKCD69
SCHEMBL29676669 0.77 BTK (0.68) BTKCD69
SCHEMBL16794360 0.77 BTK (0.68) BTKCD69

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-109096274-B Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2022-07-01 — — CN disclosed
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