SCHEMBL23795671

SCHEMBL23795671

Nc1cc(CN2CCN(C(=O)O)CC2)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 6/20 0.50
CYP2C19 P33261 2/20 0.50
CYP1A2 P05177 1/20 0.50
FAAH O00519 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
TSHR P16473 4/20 0.47
CYP2D6 P10635 3/20 0.47
MGLL Q99685 3/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 3/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2930604 0.90 USP2 (0.59) USP2CYP2C19CYP1A2FAAHSIGMAR1
SCHEMBL23111591 0.85 USP2 (0.51) USP2CYP2C19CYP1A2FAAHSIGMAR1
SCHEMBL447202 0.83 CYP2D6 (0.53) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL545692 0.81 ALDH1A1 (0.58) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL29967920 0.81 ALDH1A1 (0.58) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL4935986 0.81 ALDH1A1 (0.54) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL29777509 0.80 LMNA (0.53) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL545449 0.80 LMNA (0.53) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL545422 0.80 ALDH1A1 (0.47) USP2CYP2C19CYP1A2TSHRCYP2D6
SCHEMBL29543344 0.80 ALDH1A1 (0.47) USP2CYP2C19CYP1A2TSHRCYP2D6

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-3877371-A1 IMIDAZOPYRIDINE DERIVATIVES AND AZA-IMIDAZOPYRIDINE DERIVATIVES AS JANUS KINASE 2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-15 EP disclosed