SCHEMBL18780335

SCHEMBL18780335

CC(C)(C)OC(=O)NC1CCN(c2cc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c(N)n2)C1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.70
▸ AURKA O14965 3/20 0.47
▸ PDPK1 O15530 3/20 0.47
▸ AURKB Q96GD4 3/20 0.47
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ MAP4K4 O95819 2/20 0.44
▸ SCN9A Q15858 1/20 0.43
▸ SUV39H2 Q9H5I1 4/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ SYK P43405 1/20 0.41
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 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
SCHEMBL18780324 0.96 BTK (0.64) BTKAURKAPDPK1AURKBCKS1B
SCHEMBL12874700 0.87 BTK (0.60) BTKAURKAPDPK1AURKBCKS1B
SCHEMBL6116715 0.84 BTK (0.80) BTKAURKAPDPK1AURKBCKS1B
SCHEMBL18780337 0.83 BTK (0.48) BTKAURKAPDPK1AURKBCKS1B
SCHEMBL18780381 0.81 BTK (0.72) BTK
SCHEMBL18780268 0.80 BTK (0.51) BTKSCN9A
SCHEMBL8557909 0.79 BTK (0.72) BTKAURKAPDPK1AURKBCKS1B
SCHEMBL18780299 0.79 BTK (0.52) BTKCKS1BSKP1SKP2SCN9A
SCHEMBL18068379 0.77 BTK (0.59) BTKCKS1BSKP1SKP2SCN9A
SCHEMBL18780334 0.77 BTK (0.52) BTKSCN9A

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
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
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