SCHEMBL27323925

SCHEMBL27323925

Cc1cc(Cc2ccc(CN)cc2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 8/20 0.44
LOX P28300 3/20 0.44
LOXL3 P58215 1/20 0.44
UHRF1 Q96T88 1/20 0.42
ADRB2 P07550 1/20 0.40
KCNQ2 O43526 1/20 0.39
ROCK1 Q13464 1/20 0.39
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP17A1 P05093 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL668247 0.86
SCHEMBL12362963 0.85 CYP3A4 (0.52) UHRF1KCNQ2RAB9ACYP17A1CYP3A4
SCHEMBL22604676 0.85 UHRF1 (0.50) UHRF1KCNQ2CYP3A4FLT1KDR
Hydrochloric Acid SCHEMBL5083664 0.84 LOXL2 (0.55) LOXL2LOXLOXL3UHRF1KCNQ2
SCHEMBL20756914 0.82 UHRF1 (0.46) UHRF1KCNQ2RAB9ACYP17A1CYP3A4
SCHEMBL1563564 0.81 CALM1 (0.48) UHRF1KCNQ2ROCK1FLT1KDR
SCHEMBL25826362 0.80 CYP17A1 (0.49) UHRF1KCNQ2RAB9ACYP17A1CYP3A4
SCHEMBL1912303 0.78 DYRK1A (0.56) ADRB2HRH3NOS3NOS1NOS2
SCHEMBL19335823 0.75 UHRF1 (0.39) UHRF1KCNQ2RAB9AHRH3CYP17A1
SCHEMBL12727962 0.75 POLB (0.63) LOXL2RAB9A

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-2024011307-A1 PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-SULFONAMIDE DERIVATIVES FOR THE INHIBITION OF SGK-1 AND TREATMENT OF CANCER THRYV THERAPEUTICS INC. (CA) 2024-01-18 WO disclosed