SCHEMBL18286644

SCHEMBL18286644

CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.51
CDK8 P49336 1/20 0.51
FYN P06241 4/20 0.50
BRAF P15056 2/20 0.47
CSF1R P07333 3/20 0.47
CCNT1 O60563 9/20 0.46
CDK9 P50750 9/20 0.46
CDK2 P24941 3/20 0.41
MAPK1 P28482 1/20 0.40
PIK3CA P42336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL12056827 1.00 CCNC (0.51) CCNCCDK8FYNBRAFCSF1R
SCHEMBL12056845 1.00 CCNC (0.51) CCNCCDK8FYNBRAFCSF1R
SCHEMBL24411073 0.93 FYN (0.60) CCNCCDK8FYNBRAFCSF1R
SCHEMBL12056840 0.93 CCNC (0.50) CCNCCDK8FYNBRAFCSF1R
SCHEMBL12056841 0.93 FYN (0.60) CCNCCDK8FYNBRAFCSF1R
SCHEMBL18286638 0.93 CCNC (0.50) CCNCCDK8FYNBRAFCSF1R
SCHEMBL12056823 0.93 CCNC (0.50) CCNCCDK8FYNBRAFCSF1R
SCHEMBL12056824 0.93 FYN (0.60) CCNCCDK8FYNBRAFCSF1R
SCHEMBL12056822 0.92 CCNC (0.54) CCNCCDK8FYNBRAFCSF1R
SCHEMBL18286649 0.92 CCNT1 (0.50) CCNCCDK8FYNBRAFCSF1R

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-1569917-B1 PYRAZINE-BASED TUBULIN INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-12-07 EP disclosed