SCHEMBL2935796

SCHEMBL2935796

O=C(O)N(F)c1ccc(Oc2ccnc3nc(N4CCOCC4)cnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.54
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
PIK3CA P42336 3/20 0.37
MAPK13 O15264 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
ATR Q13535 1/20 0.35
PIK3CG P48736 1/20 0.33
ADK P55263 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL3762135 0.88 BRAF (0.52) BRAFCCNCCDK8PIK3CAMAPK13
SCHEMBL3755761 0.81 BRAF (0.45) BRAFCCNCCDK8PIK3CAMAPK13
SCHEMBL2935779 0.78 BRAF (0.75) BRAF
SCHEMBL3759457 0.78 BRAF (0.52) BRAFCCNCCDK8
SCHEMBL2935597 0.76 BRAF (0.60) BRAFCCNCCDK8PIK3CAATR
SCHEMBL3762127 0.73 BRAF (0.71) BRAF
SCHEMBL3763280 0.70 BRAF (1.00) BRAF
SCHEMBL15925256 0.67 ALDH1A1 (0.43) BRAFPIK3CAATRADKKMT2A
SCHEMBL18256822 0.67 MET (0.60) BRAFCDK8MAPK13
SCHEMBL2928516 0.66 BRAF (0.52) BRAF

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
EP-2229391-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2010-09-22 EP disclosed
WO-2009077766-A1 PYRIDO[2,3-B]PYRAZINE-8-SUBSTITUTED COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-06-25 WO disclosed