SCHEMBL5331295

SCHEMBL5331295

NC(=O)c1ccc(F)c(C(O)c2c[nH]c3ncc(Br)cc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.40
DYRK1A Q13627 3/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
ROCK2 O75116 2/20 0.39
PRKD3 O94806 2/20 0.39
INSR P06213 2/20 0.39
CDK1 P06493 2/20 0.39
FES P07332 2/20 0.39
ROS1 P08922 2/20 0.39
FGFR1 P11362 2/20 0.39
PHKG2 P15735 2/20 0.39
FER P16591 2/20 0.39
FLT1 P17948 2/20 0.39
CDK2 P24941 2/20 0.39
MARK3 P27448 2/20 0.39
FLT4 P35916 2/20 0.39
KDR P35968 2/20 0.39
FLT3 P36888 2/20 0.39
FRK P42685 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
SCHEMBL8247887 0.84 DYRK1A (0.40) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL2890696 0.81 BRAF (0.43) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL859210 0.80 PRKD3 (0.49) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL3505473 0.80 BRAF (0.52) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL3505142 0.80 BRAF (0.39) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL2043650 0.79 BRAF (0.37) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL2890699 0.76 BRAF (0.39) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL3715063 0.75 AURKA (0.39) BRAFDYRK1APLK4AURKAROCK2
SCHEMBL856994 0.74 BRAF (0.48) BRAFPLK4AURKAFESFGFR1
SCHEMBL415757 0.74 BRAF (0.40) BRAFDYRK1APLK4AURKAROCK2

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-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed