SCHEMBL7745174

SCHEMBL7745174

CC(C)CCn1c(CN2C(=O)/C(=C/c3ccccn3)c3ccccc32)nc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 2/20 0.39
TRPA1 O75762 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FGFR1 P11362 1/20 0.37
MCL1 Q07820 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL7745373 0.87 MAPK1 (0.50) MAPK1TSHRNPSR1MAPTALDH1A1
SCHEMBL7740562 0.82 TSHR (0.57) MAPK1TSHRNPSR1MAPTALDH1A1
SCHEMBL7745697 0.78 TSHR (0.64) MAPK1TSHRNPSR1MAPTALDH1A1
SCHEMBL7745839 0.78 TSHR (0.52) MAPK1TSHRNPSR1MAPTALDH1A1
SCHEMBL7740565 0.77 TSHR (0.43) MAPK1TSHRNPSR1MAPTSMN1; SMN2
SCHEMBL7741297 0.76 TSHR (0.50) MAPK1TSHRNPSR1MAPTALDH1A1
SCHEMBL7745214 0.74 TSHR (0.47) MAPK1TSHRNPSR1MAPTSMN1; SMN2
SCHEMBL7745584 0.74 TSHR (0.42) MAPK1TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL7745732 0.73 TSHR (0.46) MAPK1TSHRNPSR1MAPTALDH1A1
SCHEMBL7741104 0.72 TSHR (0.55) MAPK1TSHRNPSR1MAPTALDH1A1

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