SCHEMBL27740922

SCHEMBL27740922

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ncncc1-c1cc(N)ncn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.58
RAF1 P04049 5/20 0.58
MAPK14 Q16539 5/20 0.57
LCK P06239 5/20 0.57
KIT P10721 3/20 0.57
ABL1 P00519 1/20 0.57
SRC P12931 1/20 0.57
KDR P35968 5/20 0.55
TEK Q02763 2/20 0.55
JAK3 P52333 2/20 0.55
CSF1R P07333 3/20 0.55
BTK Q06187 2/20 0.55
CYP2C9 P11712 1/20 0.51
DDR2 Q16832 1/20 0.51

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
SCHEMBL27740909 0.88 BRAF (0.56) BRAFRAF1MAPK14LCKKIT
SCHEMBL27740910 0.88 LCK (0.56) BRAFRAF1MAPK14LCKKIT
SCHEMBL27740911 0.86 BTK (0.57) BRAFRAF1MAPK14LCKKIT
SCHEMBL3826288 0.86 KDR (0.68) BRAFMAPK14LCKKITABL1
SCHEMBL13198172 0.79 BRAF (0.74) BRAFRAF1MAPK14LCKKIT
SCHEMBL3823531 0.78 KDR (0.79) BRAFMAPK14LCKKITSRC
SCHEMBL3824997 0.77 KDR (0.67) BRAFMAPK14LCKKITABL1
SCHEMBL13220190 0.77 LCK (0.76) BRAFRAF1MAPK14LCKKIT
SCHEMBL23362271 0.77 RAF1 (0.59) BRAFRAF1MAPK14LCKKIT
SCHEMBL3828363 0.77 KDR (0.66) BRAFMAPK14LCKKITABL1

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
CN-101421262-A Compounds and compositions as protein kinase inhibitors IRM LLC (VG) 2009-04-29 CN claimed