SCHEMBL25880690

SCHEMBL25880690

NC(=O)NCc1ccnc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 2/20 0.53
LOX P28300 1/20 0.53
LOXL3 P58215 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
MAPK3 P27361 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX1 P07099 1/20 0.45
CDK2 P24941 1/20 0.44
GSK3B P49841 1/20 0.44
TSHR P16473 1/20 0.41
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
NR3C2 P08235 4/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ENPP2 Q13822 1/20 0.39

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
SCHEMBL1400930 0.85 RECQL (0.55) CYP2C9CYP2C19RECQLLOXLOXL3
SCHEMBL9250032 0.83 RECQL (0.53) RECQLLOXLOXL3LOXL2DYRK1A
SCHEMBL30791573 0.83 RECQL (0.53) RECQLLOXLOXL3LOXL2DYRK1A
SCHEMBL31286041 0.81 RECQL (0.50) CYP2C9CYP2C19RECQLNR3C2
SCHEMBL25613407 0.81 GABRP (0.57) CYP2C9CYP2C19RECQLNR3C2
SCHEMBL25610134 0.80 RECQL (0.49) CYP2C9CYP2C19RECQLCDK2GSK3B
SCHEMBL5610968 0.77 LOXL2 (0.58) RECQLLOXLOXL3LOXL2EPHX1
SCHEMBL10163771 0.77 L3MBTL1 (0.49) RECQLLOXLOXL3LOXL2MAPK3
SCHEMBL31424999 0.76 LOXL2 (0.57) CYP2C9CYP2C19RECQLLOXLOXL2
SCHEMBL25880602 0.76 LOX (0.57) CYP2C9CYP2C19RECQLLOXLOXL2

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-2023121992-A1 CYCLOPROPYL COMPOUNDS ICAGEN, LLC (US) 2023-06-29 WO disclosed