SCHEMBL21791346

SCHEMBL21791346

Cn1cc(-c2nc3c(-c4ccc5c(c4)CCCCC5)ccnc3[nH]2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.43
▸ CREBBP Q92793 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ INCENP Q9NQS7 2/20 0.42
▸ TPX2 Q9ULW0 2/20 0.42
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ CDC42BPB Q9Y5S2 1/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ AXL P30530 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ KDM1A O60341 1/20 0.37

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
SCHEMBL17664642 0.87 TYRO3 (0.47) BTKAXLTYRO3MERTK
SCHEMBL21791548 0.86 BTK (0.42) BTKCREBBPKCNH2AURKAAURKB
Hydrochloric Acid SCHEMBL17646063 0.86 TYRO3 (0.47) BTKAXLTYRO3MERTK
Hydrochloric Acid SCHEMBL28593369 0.84 BTK (0.46) BTKCREBBPKCNH2
Hydrochloric Acid SCHEMBL30104456 0.83 BTK (0.48) BTKCREBBPKCNH2AURKAAURKB
SCHEMBL27457324 0.80 BTK (0.53) BTKAURKAAURKBINCENPTPX2
SCHEMBL17646049 0.80 AURKA (0.46) BTKAURKAAURKBINCENPTPX2
SCHEMBL21791517 0.79 BTK (0.45) BTKAURKA
SCHEMBL21791384 0.79 BRD4 (0.39) BTKKCNH2AURKA
SCHEMBL17645808 0.78 BTK (0.48) BTKKCNH2ROCK2AXLTYRO3

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-2020043638-A1 FUSED IMIDAZOPYRIDINES AS REVERSIBLE INHIBITORS OF BRUTON'S TYROSINE KINASE (BTK) MERCK PATENT GMBH (DE) 2020-03-05 — — WO disclosed
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