SCHEMBL20008782

SCHEMBL20008782

CCc1ncc(-c2cc(NC)cnc2Cl)cc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.45
BRAF P15056 19/20 0.45
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
LTK P29376 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1A1 P48729 1/20 0.40
RPS6KA3 P51812 1/20 0.40
JAK3 P52333 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP2K1 Q02750 1/20 0.40

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
SCHEMBL20008794 0.86 RAF1 (0.50) RAF1BRAF
SCHEMBL19529245 0.79 RAF1 (0.47) RAF1BRAF
SCHEMBL20008326 0.77 RAF1 (0.39) RAF1BRAF
SCHEMBL20008259 0.76 RAF1 (0.38) RAF1BRAF
SCHEMBL20008513 0.71 RAF1 (0.61) RAF1BRAF
SCHEMBL20008151 0.71 RAF1 (0.48) RAF1BRAF
SCHEMBL20008332 0.70 RAF1 (0.62) RAF1BRAF
SCHEMBL20009647 0.70 BRAF (0.47) RAF1BRAF
SCHEMBL20008216 0.70 RAF1 (0.47) RAF1BRAFROCK1
SCHEMBL20008152 0.70 RAF1 (0.63) RAF1BRAF

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed