SCHEMBL18780324

SCHEMBL18780324

CC(C)(C)OC(=O)NC1CCN(c2cc(-c3ccc(Oc4ccccc4)cc3)c(C(=N)N)c(N)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.64
▸ CKS1B P61024 2/20 0.51
▸ SKP1 P63208 2/20 0.51
▸ SKP2 Q13309 2/20 0.51
▸ AURKA O14965 3/20 0.42
▸ PDPK1 O15530 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ SCN9A Q15858 1/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ SUV39H2 Q9H5I1 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RET P07949 1/20 0.39

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
SCHEMBL18780335 0.96 BTK (0.70) BTKCKS1BSKP1SKP2AURKA
SCHEMBL12874700 0.91 BTK (0.60) BTKCKS1BSKP1SKP2AURKA
SCHEMBL18780337 0.87 BTK (0.48) BTKCKS1BSKP1SKP2AURKA
SCHEMBL8557909 0.83 BTK (0.72) BTKCKS1BSKP1SKP2AURKA
SCHEMBL18780299 0.82 BTK (0.52) BTKCKS1BSKP1SKP2SCN9A
SCHEMBL6116715 0.80 BTK (0.80) BTKCKS1BSKP1SKP2AURKA
SCHEMBL18780334 0.80 BTK (0.52) BTKSCN9A
SCHEMBL18780268 0.79 BTK (0.51) BTKSCN9A
SCHEMBL18780297 0.79 BTK (0.50) BTKPDPK1AURKBSCN9AMAP4K4
SCHEMBL18780378 0.79 BTK (0.52) BTK

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
Send feedback