SCHEMBL3828846

SCHEMBL3828846

C=C(C)CNc1ncc2c(CC)n(-c3cc(NC(=O)c4cccc(C(F)(F)F)c4)cc(OC)c3)c(=O)nc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 6/20 0.44
LCK P06239 5/20 0.44
MAPT P10636 9/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 5/20 0.40
POLB P06746 1/20 0.40
CSF1R P07333 1/20 0.39
DAPK1 P53355 1/20 0.39
MDM2 Q00987 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
BLK P51451 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39

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
SCHEMBL3825126 0.92 BTK (0.49) BTKLCKMAPTGAAMAPK1
SCHEMBL3829372 0.88 LCK (0.47) BTKLCKCSF1RDAPK1RAF1
SCHEMBL3824777 0.87 MAPT (0.48) BTKLCKMAPTGAAMAPK1
SCHEMBL3830881 0.87 BTK (0.49) BTKLCKMAPTGAAMAPK1
SCHEMBL3827768 0.87 LCK (0.44) BTKLCKMAPTGAAMAPK1
SCHEMBL3825040 0.86 BTK (0.49) BTKLCKMAPTMAPK1KDM4E
SCHEMBL3825451 0.86 BTK (0.51) BTKLCKMAPTGAAMAPK1
SCHEMBL3828976 0.86 LCK (0.43) BTKLCKMAPTGAAMAPK1
SCHEMBL3830492 0.85 BTK (0.46) BTKLCKMAPTGAAMAPK1
SCHEMBL3824944 0.85 BTK (0.46) BTKLCKMAPTGAAMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP claimed
JP-2007500725-A 2007-01-18 JP claimed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP claimed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO claimed
EP-1651648-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-09-02 EP disclosed
EP-1651648-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-03 EP disclosed
WO-2005011597-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-02-10 WO disclosed