SCHEMBL20155184

SCHEMBL20155184

CCSNc1ccc(Nc2ccc(Cl)cc2F)c(-c2cn(C)c(=O)c3cn(CC)nc23)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.40
MAT2A P31153 9/20 0.39
TGFBR1 P36897 2/20 0.33
BRDT Q58F21 1/20 0.33
BRAF P15056 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 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
SCHEMBL20155652 0.92 BRD4 (0.48) BRD4MAT2ABRDTNPC1RAB9A
SCHEMBL20155169 0.87 BRD4 (0.46) BRD4MAT2ABRDTBRAF
SCHEMBL20155171 0.86 BRD4 (0.43) BRD4MAT2ATGFBR1
SCHEMBL20155113 0.85 BRD4 (0.48) BRD4
SCHEMBL20155593 0.81 BRD4 (0.47) BRD4BRDT
SCHEMBL20155756 0.80 BRD4 (0.41) BRD4BRAF
SCHEMBL20155625 0.80 BRD4 (0.46) BRD4BRDT
SCHEMBL20155628 0.79 BRD4 (0.47) BRD4BRDTBRAF
SCHEMBL20155116 0.77 BRD4 (0.45) BRD4MAT2ANPC1RAB9A
SCHEMBL20155737 0.75 BRD4 (0.47) BRD4MAT2A

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
WO-2018086604-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed