SCHEMBL16201537

SCHEMBL16201537

Cn1nccc1-c1ccc(N)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
COMT P21964 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PORCN Q9H237 3/20 0.39
CYP2D6 P10635 3/20 0.39
ALOX5AP P20292 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
PDPK1 O15530 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
SCHEMBL25322831 0.80 CYP11B1 (0.57) CYP11B1CYP11B2COMTPIK3CDPIK3CA
SCHEMBL30551409 0.80 CYP11B1 (0.57) CYP11B1CYP11B2COMTPIK3CDPIK3CA
SCHEMBL21258382 0.79 CYP11B1 (0.49) CYP11B1CYP11B2COMTPIK3CDPIK3CA
SCHEMBL31148179 0.78 COMT (0.43) CYP11B1CYP11B2COMTPIK3CDPIK3CA
SCHEMBL1460480 0.76 EGLN2 (0.50) CYP11B1CYP11B2COMTPORCNCYP2D6
SCHEMBL12935411 0.76 CYP11B1 (0.47) CYP11B1CYP11B2COMTPORCNCYP2D6
SCHEMBL29620872 0.75 CYP11B1 (0.46) CYP11B1CYP11B2COMTPORCNCYP2D6
SCHEMBL14938310 0.75 PORCN (0.58) CYP11B1CYP11B2COMTPIK3CDPIK3CA
SCHEMBL14167514 0.75 CYP11B1 (0.46) CYP11B1CYP11B2COMTPORCNCYP2D6
SCHEMBL16826278 0.73 CYP3A4 (0.53) COMTPIK3CDPIK3CAPIK3CBPI4KA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695236-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE Soley Therapeutics, Inc. (US) 2026-02-18 EP disclosed
WO-2024216094-A1 SUBSTITUTED PHENYL-PIPERAZINYL BASED MODULATORS FOR THE TREATMENT OF DISEASE SOLEY THERAPEUTICS, INC. (US) 2024-10-17 WO disclosed
WO-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed