SCHEMBL15435488

SCHEMBL15435488

Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)N(CCN1CCOCC1)c1cc(N)[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.53
MAPK14 Q16539 2/20 0.53
BRAF P15056 13/20 0.51
RAF1 P04049 12/20 0.51
CSF1R P07333 2/20 0.51
KIT P10721 2/20 0.51
FGFR1 P11362 1/20 0.48
DDR2 Q16832 1/20 0.48
EPHX2 P34913 1/20 0.48
HTR2A P28223 1/20 0.48
KCNH2 Q12809 1/20 0.48

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
SCHEMBL374342 0.89 RAF1 (0.56) LCKMAPK14BRAFRAF1CSF1R
SCHEMBL374105 0.88 LCK (0.55) LCKMAPK14BRAFRAF1CSF1R
SCHEMBL374565 0.85 LCK (0.54) LCKMAPK14BRAFRAF1CSF1R
SCHEMBL374560 0.84 LCK (0.56) LCKMAPK14BRAFRAF1CSF1R
SCHEMBL374318 0.81 CSF1R (0.54) LCKBRAFRAF1CSF1RKIT
SCHEMBL374295 0.81 LCK (0.53) LCKMAPK14BRAFRAF1CSF1R
SCHEMBL374320 0.80 LCK (0.53) LCKMAPK14BRAFRAF1EPHX2
SCHEMBL374431 0.77 LCK (0.60) LCKMAPK14BRAFCSF1R
SCHEMBL374676 0.76 LCK (0.61) LCKMAPK14BRAFRAF1
SCHEMBL374344 0.75 BRAF (0.56) LCKBRAFRAF1CSF1RKIT

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-2418205-B1 Pyrimidine urea derivatives as kinase inhibitors NOVARTIS AG (CH) 2014-01-22 EP disclosed