SCHEMBL3936045

SCHEMBL3936045

COc1cncc(NC(=O)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.62
CSF1R P07333 3/20 0.56
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2C9 P11712 2/20 0.51
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
BLK P51451 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL4175332 0.89 BRAF (0.67) BRAFCSF1RKDM4ENPC1MEN1
SCHEMBL3934757 0.87 BRAF (0.62) BRAFCSF1RNPC1RAB9ACYP2C9
SCHEMBL3934373 0.87 BRAF (0.71) BRAFCSF1RNPC1RAB9ACYP2C9
SCHEMBL3934251 0.86 BRAF (0.64) BRAFCSF1RNPC1RAB9ACYP2C9
SCHEMBL3938207 0.84 BRAF (0.72) BRAFCSF1RCYP2C9BTK
SCHEMBL3942246 0.83 BRAF (0.57) BRAFCSF1RNPC1RAB9ACYP2C9
SCHEMBL4020821 0.82 CSF1R (0.83) BRAFCSF1RNPC1
SCHEMBL3934779 0.80 BRAF (0.77) BRAFCSF1RCYP2C9BLKBTK
SCHEMBL3933731 0.79 BRAF (0.65) BRAFCYP2C9BLKBTK
SCHEMBL3943854 0.78 BRAF (0.55) BRAFCSF1RNPC1RAB9ABLK

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-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed