SCHEMBL14070242

SCHEMBL14070242

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nn(C)c2nc(Nc3ccc(N4CCOCC4)cc3)ncc12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.69
LCK P06239 3/20 0.59
KDR P35968 3/20 0.59
MAPK14 Q16539 3/20 0.59
SRC P12931 3/20 0.59
CSF1R P07333 2/20 0.59
TEK Q02763 2/20 0.59
ABL1 P00519 1/20 0.59
FYN P06241 1/20 0.59
LYN P07948 1/20 0.59
MAPK9 P45984 1/20 0.59
DAPK1 P53355 1/20 0.58
BRAF P15056 11/20 0.58
RAF1 P04049 10/20 0.58
JAK2 O60674 2/20 0.56
JAK1 P23458 1/20 0.56
JAK3 P52333 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 0.89 BTK (0.75) BTKLCKKDRMAPK14SRC
SCHEMBL14070167 0.88 LCK (0.68) BTKLCKKDRMAPK14SRC
SCHEMBL14070165 0.87 BTK (0.64) BTKLCKKDRMAPK14SRC
SCHEMBL14070183 0.87 LCK (0.68) BTKLCKKDRMAPK14SRC
SCHEMBL14070255 0.86 BTK (0.73) BTKLCKKDRMAPK14SRC
SCHEMBL14069733 0.86 BTK (0.74) BTKLCKKDRMAPK14SRC
SCHEMBL14070246 0.86 BTK (0.72) BTKLCKKDRMAPK14SRC
SCHEMBL14070166 0.84 BTK (0.70) BTKLCKKDRMAPK14SRC
SCHEMBL14070254 0.84 BTK (0.73) BTKLCKKDRMAPK14SRC
SCHEMBL20558424 0.84 BTK (0.74) BTKLCKKDRMAPK14SRC

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