SCHEMBL20069736

SCHEMBL20069736

CN1CCC(C)(NC(=O)c2c(F)cccc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
USP30 Q70CQ3 1/20 0.40
RET P07949 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SPR P35270 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SLC6A9 P48067 1/20 0.38
EPHX2 P34913 1/20 0.37
BCL3 P20749 1/20 0.37
CYP2D6 P10635 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
SCHEMBL20068928 0.92 MAPK1 (0.43) ALDH1A1KDM4EGAATHRBRET
SCHEMBL20069768 0.84 RET (0.42) ALDH1A1KDM4EGAATHRBRET
SCHEMBL20147545 0.83 RET (0.41) KDM4EGAATHRBUSP30RET
SCHEMBL20152064 0.83 P2RX7 (0.39) RETSLC6A9
SCHEMBL20069735 0.83 RET (0.49) ALDH1A1GAARETMAPT
SCHEMBL20147568 0.80 P2RX7 (0.40) RETLMNACYP2D6
SCHEMBL20206040 0.80 DPP4 (0.43) ALDH1A1RETMEN1KMT2ASLC6A9
SCHEMBL20069339 0.79 RET (0.41) USP30RETMAPK1MEN1KMT2A
SCHEMBL22660413 0.78 CYP2C19 (0.46) ALDH1A1RETMAPK1MEN1KMT2A
SCHEMBL20068944 0.77 HPGD (0.44) USP30RETMAPK1KMT2A

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