SCHEMBL2639680

SCHEMBL2639680

CC(O)CNc1nccc(-c2cn(CC3(C)COC3)nc2-c2cnc3[nH]cc(Cl)c3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.46
ACVR1 Q04771 6/20 0.42
MAP3K14 Q99558 2/20 0.35
MAP3K12 Q12852 3/20 0.35
MAPK10 P53779 2/20 0.34
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 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
SCHEMBL2640095 1.00 BRAF (0.46) BRAFACVR1MAP3K14MAP3K12MAPK10
SCHEMBL13940917 0.89 ACVR1 (0.44) ACVR1MAP3K14
SCHEMBL2639448 0.87 BRAF (0.51) BRAFACVR1
SCHEMBL2639591 0.87 BRAF (0.48) BRAFACVR1MAP3K14
SCHEMBL2639900 0.86 BRAF (0.50) BRAFACVR1MAP3K14MAPK10CCNT1
SCHEMBL2639645 0.85 BRAF (0.53) BRAFMAPK10CCNT1CCNA2CDK2
SCHEMBL2640008 0.84 BRAF (0.63) BRAF
SCHEMBL2956057 0.83 BRAF (0.51) BRAFACVR1MAP3K14MAPK10
SCHEMBL2639706 0.83 BRAF (0.48) BRAFACVR1MAP3K12CCNT1CCNA2
SCHEMBL2639978 0.82 BRAF (0.47) BRAFACVR1MAP3K14MAP3K12CCNA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4792126-B2 2011-10-12 JP claimed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP claimed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO claimed
EP-2183243-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS Pfizer Inc. (US) 2010-05-12 EP disclosed
WO-2009016460-A2 PYRAZOLE COMPOUNDS AND THEIR USE AS RAF INHIBITORS PFIZER INC. (US) 2009-02-05 WO disclosed