SCHEMBL13010607

SCHEMBL13010607

Brc1cnc2[nH]cc(C3=CCNN3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.54
JAK2 O60674 2/20 0.54
PLK4 O00444 1/20 0.54
AURKA O14965 1/20 0.54
ROCK2 O75116 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
PRKCG P05129 1/20 0.54
INSR P06213 1/20 0.54
CDK1 P06493 1/20 0.54
FES P07332 1/20 0.54
IGF1R P08069 1/20 0.54
ROS1 P08922 1/20 0.54
FGFR1 P11362 1/20 0.54
PHKG2 P15735 1/20 0.54
FER P16591 1/20 0.54
FLT1 P17948 1/20 0.54
CDK2 P24941 1/20 0.54
MARK3 P27448 1/20 0.54
FLT4 P35916 1/20 0.54

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
SCHEMBL14043234 0.75 DYRK1A (0.57) DYRK1ACDK2PDPK1AXLCDK8
SCHEMBL13010659 0.74 DYRK1A (0.50) DYRK1APLK4AURKAROCK2PRKD3
SCHEMBL13010532 0.73 TNIK (0.53) DYRK1ACLK2CLK4AXLCDK8
SCHEMBL13010605 0.72 MAP3K11 (0.71) DYRK1AAURKAROCK2INSRCDK1
Hydrochloric Acid SCHEMBL18129737 0.72 JAK2 (0.51) DYRK1AJAK2PLK4AURKAROCK2
Hydrochloric Acid SCHEMBL18129693 0.72 JAK2 (0.51) DYRK1AJAK2PLK4AURKAROCK2
SCHEMBL18129622 0.72 JAK2 (0.51) DYRK1AJAK2PLK4AURKAROCK2
SCHEMBL12127400 0.70 DYRK1A (0.58) DYRK1AJAK2PLK4AURKAROCK2
SCHEMBL18136456 0.70 DYRK1A (0.49) DYRK1AJAK2PLK4AURKAROCK2
SCHEMBL18129649 0.70 DYRK1A (0.49) DYRK1AJAK2PLK4AURKAROCK2

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-2264033-A1 3,5-DIPHENYL-SUBSTITUTED PYRROLO[2,3b]PYRIDINES USEFUL AS KINASE INHIBITORS SGX Pharmaceuticals, Inc. (US) 2010-12-22 EP disclosed