SCHEMBL14253992

SCHEMBL14253992

Cc1cc(C)cc(Nc2nccc(-c3ccc(O)c(C(N)=O)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.54
SRC P12931 5/20 0.51
ZAP70 P43403 5/20 0.51
MAPK8 P45983 3/20 0.47
PIK3CG P48736 3/20 0.47
CAMKK2 Q96RR4 3/20 0.47
GSK3B P49841 1/20 0.47
CDK2 P24941 3/20 0.47
MAPK10 P53779 1/20 0.47
PLK1 P53350 2/20 0.46
PIK3CA P42336 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
JAK2 O60674 2/20 0.46
FLT3 P36888 2/20 0.46
CDC7 O00311 1/20 0.46
LYN P07948 1/20 0.45
CAMK2D Q13557 1/20 0.45

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
SCHEMBL14253998 0.87 MTOR (0.52) MAPK8PIK3CGCAMKK2GSK3BCDK2
SCHEMBL14253974 0.86 MAPK8 (0.61) MAPK8PIK3CGCAMKK2GSK3BMAPK10
SCHEMBL14253977 0.86 SYK (0.57) SYKZAP70MAPK8PIK3CGCAMKK2
SCHEMBL14253994 0.84 PIK3CG (0.54) SYKMAPK8PIK3CGCAMKK2GSK3B
SCHEMBL14254035 0.84 MAPK8 (0.48) SYKMAPK8PIK3CGCAMKK2JAK2
SCHEMBL14254000 0.84 IKBKB (0.62) MAPK8PIK3CGCAMKK2GSK3BMAPK10
SCHEMBL14254278 0.83 SRC (0.55) SYKSRCZAP70PIK3CGGSK3B
SCHEMBL14254452 0.83 SYK (0.57) SYKSRCZAP70PIK3CGGSK3B
SCHEMBL14254085 0.83 CAMKK2 (0.52) SYKSRCZAP70MAPK8PIK3CG
SCHEMBL14254007 0.81 CAMK2D (0.65) MAPK8PIK3CGCAMKK2GSK3BCDK2

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
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 US disclosed
US-7348335-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-25 US disclosed