SCHEMBL4785228

SCHEMBL4785228

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1nn(C)c2nc([S+](C)[O-])ncc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.64
BRAF P15056 12/20 0.54
KDR P35968 2/20 0.54
ESYT2 A0FGR8 1/20 0.54
PLEKHG3 A1L390 1/20 0.54
NBAS A2RRP1 1/20 0.54
CNOT1 A5YKK6 1/20 0.54
TBKBP1 A7MCY6 1/20 0.54
MYO1G B0I1T2 1/20 0.54
AGPS O00116 1/20 0.54
MYO1F O00160 1/20 0.54
SNAP23 O00161 1/20 0.54
AP3B1 O00203 1/20 0.54
PSMD12 O00232 1/20 0.54
BMPR1B O00238 1/20 0.54
PGRMC1 O00264 1/20 0.54
CLIC1 O00299 1/20 0.54
CDC7 O00311 1/20 0.54
PDHX O00330 1/20 0.54
IPO5 O00410 1/20 0.54

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
SCHEMBL14069588 0.87 BTK (0.67) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL20558521 0.87 BTK (0.67) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL14069733 0.87 BTK (0.74) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL4787917 0.86 BTK (0.66) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL14070193 0.85 BTK (0.75) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL14070254 0.85 BTK (0.73) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL14070255 0.84 BTK (0.73) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL4788983 0.83 BTK (0.44) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL14070166 0.83 BTK (0.70) BTKBRAFKDRESYT2PLEKHG3
SCHEMBL14070246 0.83 BTK (0.72) BTKBRAFKDRESYT2PLEKHG3

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 2 patents. 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
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