SCHEMBL20069706

SCHEMBL20069706

CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
RET P07949 2/20 0.43
GHSR Q92847 1/20 0.35
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 2/20 0.34
HSD11B1 P28845 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
PKM P14618 1/20 0.32
NAMPT P43490 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
SCHEMBL20147506 0.86 EPHX1 (0.47) EPHX1RETGHSRKDM4EEPHX2
SCHEMBL20069520 0.85 RET (0.43) EPHX1RETKDM4EEPHX2SMN1; SMN2
SCHEMBL25503136 0.81 EPHX1 (0.33) EPHX1RETKDM4EHSD11B1SIGMAR1
SCHEMBL20069716 0.81 RET (0.43) EPHX1RETKDM4ESMN1; SMN2SIGMAR1
SCHEMBL20069701 0.81 RET (0.37) EPHX1RETEPHX2
SCHEMBL20069705 0.79 RET (0.41) EPHX1RETKDM4EEPHX2
SCHEMBL20069719 0.78 RET (0.41) EPHX1RETKDM4EKEAP1NFE2L2
SCHEMBL20069696 0.78 RET (0.41) EPHX1RETKDM4EEPHX2HSD11B1
SCHEMBL20069697 0.77 RET (0.43) RET
SCHEMBL20069726 0.76 RET (0.42) EPHX1RETKDM4ESIGMAR1

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-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed