SCHEMBL379539

SCHEMBL379539

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)c1cc(NCCN(C(C)C)C(C)C)ncn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(C)c1cc(NCCc2ccccn2)ncn1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.59
LYN P07948 9/20 0.59
SRC P12931 9/20 0.59
KDR P35968 9/20 0.59
HCK P08631 8/20 0.59
BRAF P15056 8/20 0.52
INSR P06213 7/20 0.49
CSF1R P07333 2/20 0.45
KIT P10721 1/20 0.45

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
SCHEMBL374255 0.95 LCK (0.64) LCKLYNSRCKDRHCK
SCHEMBL374496 0.93 LCK (0.67) LCKLYNSRCKDRHCK
SCHEMBL374317 0.86 LCK (0.65) LCKLYNSRCKDRHCK
SCHEMBL374341 0.83 LCK (0.67) LCKLYNSRCKDRHCK
SCHEMBL14550183 0.83 LCK (0.63) LCKLYNSRCKDRHCK
SCHEMBL373994 0.83 LCK (0.63) LCKLYNSRCKDRHCK
SCHEMBL374410 0.83 LCK (0.66) LCKLYNSRCKDRHCK
SCHEMBL374451 0.82 LCK (0.66) LCKLYNSRCKDRHCK
SCHEMBL374179 0.81 LCK (0.67) LCKLYNSRCKDRHCK
SCHEMBL374545 0.81 LCK (0.68) LCKSRCKDRBRAFCSF1R

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-2409969-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-01-25 EP claimed