SCHEMBL16354331

SCHEMBL16354331

NC(=O)c1ccc2c(c1)cc1n2CC=Cc2ccccc2-1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
BRPF1 P55201 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RPS6KA3 P51812 1/20 0.36
ROCK2 O75116 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PLAU P00749 1/20 0.34
FGFR1 P11362 1/20 0.34
LCK P06239 1/20 0.33
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
TYK2 P29597 4/20 0.33
JAK3 P52333 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL641455 0.81 KMT2A (0.37) KDM4EALDH1A1HSD17B10KMT2AMEN1
SCHEMBL270972 0.79 POLB (0.40) ACLYKDM4EALDH1A1HSD17B10RPS6KA3
SCHEMBL3903095 0.75 CREBBP (0.41) ACLYKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL4825673 0.72 RPS6KA3 (0.45) RPS6KA3FGFR1JAK2JAK1TYK2
SCHEMBL4828067 0.72 RPS6KA3 (0.45) RPS6KA3ROCK2PIM1PIM3FGFR1
SCHEMBL854124 0.71 KMT2A (0.34) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3938873 0.70 RPS6KA3 (0.45) KDM4EBRD4ALDH1A1BRPF1SMN1; SMN2
SCHEMBL2156296 0.68 BCL2L1 (0.38) KDM4EALDH1A1HSD17B10RPS6KA3PIM1
SCHEMBL3941964 0.68 RPS6KA3 (0.43) RPS6KA3ROCK2PIM1PIM3PLAU
SCHEMBL4554663 0.68 RPS6KA3 (0.36) KDM4EALDH1A1HSD17B10RPS6KA3KMT2A

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-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP claimed