SCHEMBL17208449

SCHEMBL17208449

Cc1ccc(NC(=O)c2cccc(C(C)(C)N)c2)cc1NC(=O)c1sc2nccnc2c1N

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.57
▸ KIT P10721 2/20 0.57
▸ BRAF P15056 11/20 0.56
▸ KDR P35968 2/20 0.53
▸ RAF1 P04049 2/20 0.53
▸ PDGFRB P09619 1/20 0.53
▸ PDGFRA P16234 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK14 Q16539 2/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ DDR1 Q08345 1/20 0.46
▸ DDR2 Q16832 1/20 0.46
▸ LCK P06239 1/20 0.46
▸ BTK Q06187 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL1698045 0.94 CSF1R (0.66) CSF1RKITBRAFKDRRAF1
SCHEMBL1697866 0.91 BRAF (0.55) CSF1RKITBRAFRAF1BTK
SCHEMBL1697898 0.87 KDM4E (0.68) CSF1RKITBRAFKDRRAF1
SCHEMBL12065267 0.82 BRAF (0.62) CSF1RKITBRAFKDRRAF1
SCHEMBL1698110 0.82 BRAF (0.54) BRAFRAF1BTK
SCHEMBL1697864 0.81 BRAF (0.53) BRAFRAF1BTK
SCHEMBL1698025 0.81 BRAF (0.53) BRAFRAF1BTK
SCHEMBL1697878 0.80 BRAF (0.54) BRAFRAF1BTK
SCHEMBL1698082 0.80 BRAF (0.51) BRAFRAF1BTK
SCHEMBL1697876 0.79 BRAF (0.54) CSF1RKITBRAFRAF1BTK

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-2576566-B1 THIENO(2,3B)PYRAZINE COMPOUNDS AS B-RAF INHIBITORS MERCK SHARP & DOHME (NL) 2015-10-28 — — EP disclosed
Send feedback