SCHEMBL28866491

SCHEMBL28866491

CC(C)(C)C1CCN(Cc2ccc(-c3ccnc(Cl)n3)cc2C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ DDR1 Q08345 9/20 0.38
▸ ABL1 P00519 6/20 0.38
▸ LYN P07948 4/20 0.38
▸ BCR P11274 3/20 0.38
▸ RIPK2 O43353 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ RET P07949 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ ARAF P10398 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ EPHA2 P29317 1/20 0.38
▸ EPHB2 P29323 1/20 0.38
▸ CSK P41240 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ FRK P42685 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL29676637 0.83 BTK (0.56) AAK1DDR1BTK
SCHEMBL16794451 0.83 BTK (0.56) AAK1DDR1BTK
SCHEMBL28238068 0.82 BTK (0.45) AAK1ACHEABL1LYNBCR
SCHEMBL29676609 0.75 BTK (0.48) DDR1ABL1LYNBCRRIPK2
SCHEMBL28238065 0.74 NR1H2 (0.42) DDR1
SCHEMBL28257788 0.73 AAK1 (0.41) AAK1BTK
SCHEMBL16793886 0.72 BTK (0.66) AAK1BTK
SCHEMBL16794371 0.71 AAK1 (0.62) AAK1BTK
SCHEMBL16814190 0.70 BTK (0.69) AAK1BTK
SCHEMBL16794185 0.68 BTK (0.44) AAK1BTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109096274-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-28 — — CN disclosed
CN-108947913-A It can be used for treating the aryl-linking compound of human tumor, neurology and amynologic disease 比奥根MA公司 2018-12-07 — — CN disclosed
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