SCHEMBL7746706

SCHEMBL7746706

CC(=O)OCCCCn1c(CN2C(=O)/C(=N\OCCF)c3ccncc32)nc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 3/20 0.34
POLB P06746 3/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 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
SCHEMBL8363985 0.91 CYP3A4 (0.40) CYP3A4RAB9AATMLMNAPKM
SCHEMBL7745821 0.91 CYP3A4 (0.48) CYP3A4RAB9ALMNAPKMNPSR1
SCHEMBL8363984 0.88 CYP3A4 (0.39) CYP3A4RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL7741391 0.86 CYP3A4 (0.37) CYP3A4
SCHEMBL7741398 0.82 CYP3A4 (0.50) CYP3A4RAB9APKMSMN1; SMN2MEN1
SCHEMBL7741750 0.81 CYP3A4 (0.44) CYP3A4RAB9ALMNASMN1; SMN2MEN1
SCHEMBL7745843 0.79 CYP3A4 (0.38) CYP3A4RAB9AATMSMN1; SMN2MEN1
SCHEMBL7745897 0.76 RAB9A (0.46) RAB9AATMLMNAPKMNPSR1
SCHEMBL7745795 0.76 MEN1 (0.43) CYP3A4RAB9AATMLMNAPKM
SCHEMBL7746259 0.75 CYP3A4 (0.35) CYP3A4MEN1KMT2ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed