SCHEMBL22902914

SCHEMBL22902914

Nc1nccc2c1c(-c1ccc(C(=O)Nc3ccccn3)cc1)nn2C1CC(N)C1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.58
▸ ERBB2 P04626 1/20 0.51
▸ TEC P42680 1/20 0.51
▸ TXK P42681 1/20 0.51
▸ BMX P51813 1/20 0.51
▸ ERBB4 Q15303 1/20 0.51
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 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
SCHEMBL22902919 0.87 BTK (0.47) BTKNPC1RAB9A
SCHEMBL22902490 0.87 BTK (0.74) BTKERBB2TECTXKBMX
SCHEMBL22902915 0.86 BTK (0.45) BTKERBB2TECTXKBMX
SCHEMBL22902615 0.85 BTK (0.56) BTKERBB2TECTXKBMX
SCHEMBL22902699 0.85 BTK (0.56) BTKERBB2TECTXKBMX
SCHEMBL22902916 0.85 BTK (0.58) BTK
SCHEMBL21903688 0.84 BTK (0.54) BTKERBB2TECTXKBMX
SCHEMBL21903745 0.84 BTK (0.54) BTKERBB2TECTXKBMX
SCHEMBL21903683 0.84 BTK (0.54) BTKERBB2TECTXKBMX
SCHEMBL21965244 0.82 BTK (0.66) BTKERBB2TECTXKBMX

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
WO-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 — — WO disclosed
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