SCHEMBL3798993

SCHEMBL3798993

O=CN1CCOc2ccc(-c3ccnc(Nc4ccccc4)n3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMG1 Q96Q15 2/20 0.52
JAK2 O60674 5/20 0.47
CLK1 P49759 3/20 0.47
DYRK1A Q13627 3/20 0.47
CLK4 Q9HAZ1 3/20 0.47
DYRK1B Q9Y463 3/20 0.47
CLK2 P49760 2/20 0.47
CAMK2D Q13557 4/20 0.46
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
GPR142 Q7Z601 2/20 0.44
CAMKK2 Q96RR4 2/20 0.44
CAMKK1 Q8N5S9 1/20 0.44
JAK3 P52333 3/20 0.43
TYK2 P29597 2/20 0.43
JAK1 P23458 1/20 0.43

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
SCHEMBL3755199 0.77 PIK3CA (0.60) SMG1JAK2CAMK2DIKBKBCHUK
SCHEMBL14423349 0.70 SMG1 (0.48) SMG1JAK2CLK1DYRK1ACLK4
SCHEMBL14423356 0.69 JAK2 (0.53) JAK2CLK1DYRK1ACLK4DYRK1B
SCHEMBL3516373 0.69 IKBKB (0.48) SMG1JAK2CLK1DYRK1ACLK4
SCHEMBL3758662 0.69 PIK3CA (0.47) SMG1JAK2GPR142CDK1CDK2
SCHEMBL24258525 0.68 CREBBP (0.62) GPR142
SCHEMBL4389138 0.68 JAK2 (0.69) SMG1JAK2CLK1DYRK1ACLK4
SCHEMBL3517086 0.68 IKBKB (0.52) SMG1JAK2CLK1DYRK1ACLK4
SCHEMBL14423383 0.68 SMG1 (0.53) SMG1JAK2ABL1EGFRJAK3
SCHEMBL1593016 0.67 PRKCD (0.79) JAK2CAMK2DABL1EGFRPRKCA

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-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed