SCHEMBL14070271

SCHEMBL14070271

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nn(C)c2nc(NCCN)ncc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.61
LCK P06239 6/20 0.59
BRAF P15056 6/20 0.59
SRC P12931 4/20 0.59
EPHB2 P29323 3/20 0.59
DDR1 Q08345 3/20 0.59
DDR2 Q16832 3/20 0.59
KDR P35968 3/20 0.59
INSR P06213 3/20 0.59
LYN P07948 3/20 0.59
HCK P08631 3/20 0.59
MAPK14 Q16539 3/20 0.59
ESYT2 A0FGR8 2/20 0.59
NBAS A2RRP1 2/20 0.59
CNOT1 A5YKK6 2/20 0.59
TBKBP1 A7MCY6 2/20 0.59
AGPS O00116 2/20 0.59
MYO1F O00160 2/20 0.59
SNAP23 O00161 2/20 0.59
AP3B1 O00203 2/20 0.59

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
SCHEMBL14070248 0.96 BTK (0.60) BTKLCKBRAFSRCEPHB2
SCHEMBL14070275 0.95 BTK (0.59) BTKLCKBRAFSRCEPHB2
SCHEMBL14070195 0.94 BTK (0.69) BTKLCKBRAFSRCEPHB2
SCHEMBL14070277 0.92 BTK (0.60) BTKLCKBRAFSRCEPHB2
SCHEMBL14070282 0.91 BTK (0.60) BTKLCKBRAFSRCEPHB2
SCHEMBL14069857 0.90 BTK (0.58) BTKLCKBRAFSRCEPHB2
SCHEMBL14069862 0.89 BTK (0.60) BTKLCKBRAFSRCEPHB2
SCHEMBL14069863 0.89 BTK (0.58) BTKLCKBRAFSRCEPHB2
SCHEMBL14070215 0.89 BRAF (0.59) BTKLCKBRAFSRCEPHB2
SCHEMBL14070184 0.89 BTK (0.66) BTKLCKBRAFSRCEPHB2

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