SCHEMBL14917652

SCHEMBL14917652

CC1CNCCN1c1ccc(N)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
RAD52 P43351 1/20 0.42
CDK4 P11802 2/20 0.40
WEE1 P30291 3/20 0.39
LATS1 O95835 1/20 0.39
GSK3B P49841 4/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL18291343 1.00 CHRNB2 (0.48) CHRNB2CHRNA4RAD52CDK4WEE1
SCHEMBL18291312 1.00 CHRNB2 (0.48) CHRNB2CHRNA4RAD52CDK4WEE1
SCHEMBL18291389 0.84 CHRNB2 (0.49) CHRNB2CHRNA4RAD52CDK4LATS1
SCHEMBL25707165 0.84 CHRNB2 (0.49) CHRNB2CHRNA4RAD52CDK4LATS1
SCHEMBL20038550 0.84 CHRNB2 (0.49) CHRNB2CHRNA4RAD52CDK4LATS1
SCHEMBL24375329 0.83 ALOX5AP (0.41) RAD52CDK4WEE1LATS1GSK3B
SCHEMBL28855356 0.83 ALOX5AP (0.41) RAD52CDK4WEE1LATS1GSK3B
SCHEMBL20255571 0.82 RAD52 (0.42) CHRNB2CHRNA4RAD52CDK4WEE1
SCHEMBL31247676 0.82 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20038549 0.82 RAD52 (0.42) CHRNB2CHRNA4RAD52CDK4WEE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115715291-B Bruton tyrosine kinase inhibitor and preparation method thereof 上海华汇拓医药科技有限公司 2025-04-29 CN disclosed
CN-115715291-A Bruton's tyrosine kinase inhibitor and preparation method thereof 上海华汇拓医药科技有限公司 2023-02-24 CN disclosed
EP-2773638-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2014-09-10 EP disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 WO disclosed