SCHEMBL3824944

SCHEMBL3824944

CCc1c2cnc(Nc3ccc(C)nc3C)nc2nc(=O)n1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 9/20 0.46
LCK P06239 8/20 0.46
CSF1R P07333 2/20 0.42
DAPK1 P53355 1/20 0.42
BMX P51813 2/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 1/20 0.42
TNK2 Q07912 1/20 0.42
MAP4K2 Q12851 1/20 0.42
RIPK1 Q13546 1/20 0.42
RIPK3 Q9Y572 1/20 0.42
BLK P51451 1/20 0.41
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3830492 0.92 BTK (0.46) BTKLCKCSF1RDAPK1BMX
SCHEMBL3825451 0.91 BTK (0.51) BTKLCKCSF1RDAPK1BMX
SCHEMBL3829780 0.91 BTK (0.47) BTKLCKCSF1RDAPK1BMX
SCHEMBL3825126 0.88 BTK (0.49) BTKLCKCSF1RDAPK1BLK
SCHEMBL3825482 0.88 TNK2 (0.50) BTKLCKCSF1RDAPK1BMX
SCHEMBL3825040 0.87 BTK (0.49) BTKLCKCSF1RDAPK1ABL1
SCHEMBL3828971 0.86 TNK2 (0.52) BTKLCKBMXABL1BCR
SCHEMBL3830993 0.86 BTK (0.49) BTKLCKCSF1RDAPK1BMX
SCHEMBL3824777 0.86 MAPT (0.48) BTKLCKCSF1RBMXABL1
SCHEMBL3830881 0.85 BTK (0.49) BTKLCKCSF1RDAPK1TNK2

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 3 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 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