SCHEMBL14070183

SCHEMBL14070183

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nn(C)c2nc(NCCCN3CCOCC3)ncc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.68
MAPK14 Q16539 6/20 0.68
BTK Q06187 4/20 0.63
KDR P35968 5/20 0.57
SRC P12931 3/20 0.55
JAK3 P52333 2/20 0.55
TYK2 P29597 1/20 0.55
SYK P43405 1/20 0.55
MAPK8 P45983 1/20 0.55
MAPK9 P45984 1/20 0.55
MAPK10 P53779 1/20 0.55
BRAF P15056 7/20 0.52
RAF1 P04049 2/20 0.52
INSR P06213 2/20 0.52
LYN P07948 2/20 0.52
HCK P08631 2/20 0.52

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 0.96 LCK (0.68) LCKMAPK14BTKKDRSRC
SCHEMBL14070209 0.95 LCK (0.64) LCKMAPK14BTKKDRSRC
SCHEMBL14070187 0.93 BTK (0.66) LCKMAPK14BTKKDRSRC
SCHEMBL14070253 0.91 LCK (0.69) LCKMAPK14BTKKDRSRC
SCHEMBL14070163 0.89 BTK (0.67) LCKMAPK14BTKKDRSRC
SCHEMBL14069856 0.88 LCK (0.66) LCKMAPK14BTKKDRSRC
SCHEMBL14070184 0.88 BTK (0.66) LCKMAPK14BTKKDRSRC
SCHEMBL14070195 0.87 BTK (0.69) LCKMAPK14BTKKDRSRC
SCHEMBL14070242 0.87 BTK (0.69) LCKMAPK14BTKKDRSRC
SCHEMBL14070189 0.87 BTK (0.65) LCKMAPK14BTKKDRSRC

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