SCHEMBL19909349

SCHEMBL19909349

CNc1cnc2[nH]c(-c3cccc(OC)c3)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNB3 Q8WWL7 2/20 0.55
GSK3A P49840 1/20 0.55
GSK3B P49841 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
IKBKB O14920 1/20 0.50
CHUK O15111 1/20 0.50
RIPK1 Q13546 1/20 0.47
NPY5R Q15761 1/20 0.46
FYN P06241 1/20 0.46
MAPKAPK2 P49137 1/20 0.44
CSF1R P07333 1/20 0.43
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL19909246 0.85 MEN1 (0.42) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL28043442 0.79 RIPK1 (0.74) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL18949203 0.77 KIT (0.43) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL15824092 0.76 KIT (0.55)
SCHEMBL1779950 0.75 KDM4E (0.57) CCNB2CDK1CCNB1CCNB3GSK3A
SCHEMBL4476999 0.74 KIT (0.49) CDK1GSK3AGSK3BCDK5DYRK1A
SCHEMBL4475824 0.74 MAPT (0.52) CDK1GSK3AGSK3BCDK5CSF1R
SCHEMBL19909553 0.74 KIT (0.54)
SCHEMBL4925656 0.73 KIT (0.56)
SCHEMBL3319702 0.72 PDGFRB (0.45) CSF1RCLK4

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
EP-2935248-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-02-28 EP disclosed