SCHEMBL14069733

SCHEMBL14069733

CNc1ncc2c(Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)nn(C)c2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.74
BMX P51813 3/20 0.59
MAPK14 Q16539 4/20 0.58
ABL1 P00519 2/20 0.58
SRC P12931 2/20 0.58
DDR1 Q08345 2/20 0.58
DDR2 Q16832 2/20 0.58
KDR P35968 4/20 0.57
LCK P06239 3/20 0.57
JAK3 P52333 1/20 0.57
BRAF P15056 7/20 0.55
SYK P43405 2/20 0.55
ESYT2 A0FGR8 1/20 0.55
PLEKHG3 A1L390 1/20 0.55
NBAS A2RRP1 1/20 0.55
CNOT1 A5YKK6 1/20 0.55
TBKBP1 A7MCY6 1/20 0.55
MYO1G B0I1T2 1/20 0.55
AGPS O00116 1/20 0.55
MYO1F O00160 1/20 0.55

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
SCHEMBL14070193 0.92 BTK (0.75) BTKBMXMAPK14ABL1SRC
SCHEMBL14070254 0.91 BTK (0.73) BTKBMXMAPK14ABL1SRC
SCHEMBL14070255 0.91 BTK (0.73) BTKBMXMAPK14ABL1SRC
SCHEMBL14070166 0.90 BTK (0.70) BTKMAPK14ABL1SRCDDR1
SCHEMBL14070246 0.90 BTK (0.72) BTKBMXMAPK14ABL1SRC
SCHEMBL14069588 0.89 BTK (0.67) BTKBMXMAPK14ABL1SRC
SCHEMBL20558521 0.89 BTK (0.67) BTKMAPK14ABL1SRCDDR1
SCHEMBL14070195 0.89 BTK (0.69) BTKBMXMAPK14ABL1SRC
SCHEMBL14070186 0.89 BTK (0.68) BTKBMXMAPK14ABL1SRC
SCHEMBL14069836 0.88 BTK (0.67) BTKBMXMAPK14ABL1SRC

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-2008112695-A2 PYRAZOLO [3,4-D] PYRIMIDINES AND 1, 2, 5, 6-TETRAAZA- AS- INDACENES AS PROTEIN KINASE INHIBITORS FOR CANCER TREATMENT IRM LLC (BM) 2008-09-18 WO disclosed