SCHEMBL14070165

SCHEMBL14070165

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nn(C)c2nc(Nc3cncc(CN4CCOCC4)c3)ncc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.64
LCK P06239 4/20 0.53
MAPK14 Q16539 4/20 0.53
SRC P12931 3/20 0.51
JAK2 O60674 1/20 0.51
BRAF P15056 9/20 0.50
RAF1 P04049 5/20 0.50
KDR P35968 2/20 0.48
ABL1 P00519 2/20 0.48
SYK P43405 2/20 0.48
DDR1 Q08345 2/20 0.48
DDR2 Q16832 2/20 0.48
BMX P51813 2/20 0.48
ESYT2 A0FGR8 1/20 0.48
PLEKHG3 A1L390 1/20 0.48
NBAS A2RRP1 1/20 0.48
CNOT1 A5YKK6 1/20 0.48
TBKBP1 A7MCY6 1/20 0.48
MYO1G B0I1T2 1/20 0.48
AGPS O00116 1/20 0.48

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
SCHEMBL14070167 0.87 LCK (0.68) BTKLCKMAPK14SRCBRAF
SCHEMBL14070242 0.87 BTK (0.69) BTKLCKMAPK14SRCJAK2
SCHEMBL14070183 0.86 LCK (0.68) BTKLCKMAPK14SRCBRAF
SCHEMBL14070246 0.84 BTK (0.72) BTKLCKMAPK14SRCBRAF
SCHEMBL14070193 0.83 BTK (0.75) BTKLCKMAPK14SRCBRAF
SCHEMBL14070253 0.82 LCK (0.69) BTKLCKMAPK14SRCBRAF
SCHEMBL14070255 0.82 BTK (0.73) BTKLCKMAPK14SRCBRAF
SCHEMBL14069733 0.82 BTK (0.74) BTKLCKMAPK14SRCBRAF
SCHEMBL14070209 0.81 LCK (0.64) BTKLCKMAPK14SRCBRAF
SCHEMBL3831040 0.81 JAK2 (0.53) LCKMAPK14SRCJAK2BRAF

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