SCHEMBL9985140

SCHEMBL9985140

Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1-n1cc2cc(F)ccc2nc1=O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.46
JAK2 O60674 3/20 0.46
TDO2 P48775 2/20 0.41
IDO1 P14902 1/20 0.41
PMM2 O15305 2/20 0.33
MPI P34949 2/20 0.33
PHOSPHO1 Q8TCT1 2/20 0.33
HCAR1 Q9BXC0 1/20 0.33
IDO2 Q6ZQW0 1/20 0.31
LPL P06858 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL29709471 0.78 BTK (0.50) BTKJAK2TDO2IDO1HCAR1
SCHEMBL149181 0.78 BTK (0.50) BTKJAK2TDO2IDO1HCAR1
SCHEMBL12070562 0.76 BTK (0.50) BTKJAK2TDO2IDO1PMM2
SCHEMBL148828 0.73 JAK2 (0.49) BTKJAK2TDO2IDO1
SCHEMBL16320311 0.70 BTK (0.68) BTKJAK2TDO2IDO1PMM2
SCHEMBL16320335 0.70 BTK (0.68) BTKJAK2TDO2IDO1PMM2
SCHEMBL148493 0.69 BTK (0.46) BTKJAK2TDO2IDO1
SCHEMBL144722 0.69 BTK (0.49) BTKJAK2TDO2IDO1
SCHEMBL29709488 0.69 BTK (0.49) BTKJAK2TDO2IDO1
SCHEMBL14860170 0.69 JAK2 (0.61) BTKJAK2TDO2IDO1IDO2

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
EP-2582668-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2013-04-24 EP disclosed
WO-2011159857-A1 CARBOLINE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-22 WO disclosed