SCHEMBL4563483

SCHEMBL4563483

Cc1cc(F)c(NC(=O)Nc2cc(C(C)(C)C)no2)cc1-n1c(C)c2cnc(N(C)c3ccccc3)nc2nc1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.40
RAF1 P04049 4/20 0.40
KDR P35968 3/20 0.40
KRAS P01116 2/20 0.40
MAP2K2 P36507 2/20 0.40
MAP2K1 Q02750 2/20 0.40
MAPK14 Q16539 10/20 0.38
MAPK13 O15264 2/20 0.38
FLT3 P36888 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33
EPHB2 P29323 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL4279129 0.85 BRAF (0.41) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4277292 0.83 BRAF (0.40) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4276053 0.82 BRAF (0.39) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5067060 0.65 BRAF (0.54) BRAFRAF1KDRKRASMAP2K2
SCHEMBL4275951 0.64 BRAF (0.60) BRAFRAF1KDRKRASMAP2K2
SCHEMBL1521542 0.64 TNK2 (0.49) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5061877 0.64 BRAF (0.56) BRAFRAF1KDRKRASMAP2K2
SCHEMBL1521549 0.64 BRAF (0.43) BRAFRAF1KDRKRASMAP2K2
SCHEMBL1521733 0.63 ABL1 (0.45) BRAFRAF1KDRKRASMAP2K2
SCHEMBL5067066 0.63 BRAF (0.52) BRAFRAF1KDRKRASMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2063896-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 WO disclosed