SCHEMBL28145355

SCHEMBL28145355

Nc1nnccc1C1CCC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 17/20 0.37
ALOX5AP P20292 16/20 0.37
TDO2 P48775 2/20 0.36
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL17714357 0.96 TDO2 (0.40) FEN1ALOX5APTDO2HTR2AHTR2C
SCHEMBL19723920 0.94 TDO2 (0.42) FEN1ALOX5APTDO2
SCHEMBL28146445 0.92 ALOX5AP (0.31) FEN1ALOX5APTDO2
SCHEMBL30541520 0.83 HTR2C (0.41) HTR2C
SCHEMBL31197270 0.81 IKBKB (0.43) HTR2AHTR2C
SCHEMBL30541401 0.80 HTR1D (0.43)
SCHEMBL31542145 0.79 IKBKB (0.46) HTR2AHTR2CHTR2B
SCHEMBL30427187 0.77 HTR2A (0.41) HTR2A
SCHEMBL28257315 0.76 CEL (0.34) FEN1ALOX5APHTR2AHTR2CHTR2B
SCHEMBL31503386 0.76 CEL (0.34) FEN1ALOX5APHTR2AHTR2CHTR2B

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-104470934-B Kinases inhibitor 爱仕达生物技术有限责任公司 2017-08-04 CN claimed
CN-103002897-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2017-06-09 CN claimed
CN-104470934-B Kinases inhibitor 爱仕达生物技术有限责任公司 2017-08-04 CN disclosed
CN-106795152-A Protein kinase inhibitors 安斯达尔生物技术有限责任公司 2017-05-31 CN disclosed