SCHEMBL12830992

SCHEMBL12830992

CC1(c2nc(Br)c(-c3ccnc(NCCN)n3)[nH]2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.44
CXCR4 P61073 1/20 0.40
CDC7 O00311 1/20 0.35
EIF2AK2 P19525 2/20 0.34
AKT3 Q9Y243 1/20 0.34
PRKD3 O94806 1/20 0.34
EGFR P00533 1/20 0.34
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
LCK P06239 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCH P24723 1/20 0.34
PRKCI P41743 1/20 0.34
ZAP70 P43403 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCQ Q04759 1/20 0.34
PRKCZ Q05513 1/20 0.34
PRKCD Q05655 1/20 0.34
PRKD1 Q15139 1/20 0.34
MKNK1 Q9BUB5 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
SCHEMBL1494641 0.86 BRAF (0.59) BRAFCDC7EIF2AK2
SCHEMBL6522934 0.86 BRAF (0.43) BRAFCDC7MAPK13MAPK12MAPK11
SCHEMBL6522717 0.86 BRAF (0.43) BRAFCDC7MAPK13MAPK12MAPK11
SCHEMBL1494675 0.79 BRAF (0.53) BRAF
SCHEMBL6525657 0.77 BRAF (0.63) BRAF
Ammonia Solution, Strong SCHEMBL6522718 0.74 BRAF (0.33) BRAF
SCHEMBL12830997 0.72 BRAF (0.82) BRAF
SCHEMBL12831014 0.72 BRAF (0.82) BRAFMAPK14
SCHEMBL7471338 0.65 MKNK1 (0.51) CXCR4PRKD3EGFRPRKCGPRKCB
SCHEMBL5771486 0.64 MAPK13 (0.63) BRAFMAPK13MAPK12MAPK11MAPK14

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-2011023773-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-03 WO disclosed