SCHEMBL29145142

SCHEMBL29145142

FC(F)(F)c1ccc(-n2cnc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.68
FGFR1 P11362 4/20 0.65
AURKA O14965 1/20 0.57
KDR P35968 1/20 0.57
AURKB Q96GD4 1/20 0.57
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL30723122 1.00 HTT (0.68) HTTFGFR1AURKAKDRAURKB
SCHEMBL30402227 0.87 HTT (0.88) HTTFGFR1POLBMAPTKMT2A
SCHEMBL3419279 0.87 HTT (0.88) HTTFGFR1POLBMAPTKMT2A
SCHEMBL12138910 0.87 HTT (0.64) HTTFGFR1AURKAKDRAURKB
SCHEMBL13871735 0.85 HTT (0.66) HTTFGFR1
SCHEMBL2646769 0.84 HTT (0.59) HTTFGFR1AURKAKDRAURKB
SCHEMBL28824907 0.82 HTT (0.72) HTTFGFR1MAPTKMT2ANPSR1
SCHEMBL2531256 0.82 HTT (0.78) HTTFGFR1CYP1A2POLBCYP3A4
Benzene SCHEMBL14876970 0.81 HTT (1.00) HTTFGFR1
SCHEMBL157265 0.81 HTT (1.00) HTTFGFR1

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-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed