SCHEMBL4585526

SCHEMBL4585526

Nc1ccc2ccnc-2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.36
NPY5R Q15761 3/20 0.36
MTOR P42345 1/20 0.34
ADK P55263 1/20 0.34
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
MAPK14 Q16539 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
RAF1 P04049 1/20 0.33
MAPK9 P45984 1/20 0.33
SCN2A Q99250 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALOX5 P09917 1/20 0.33
GCGR P47871 1/20 0.33
PDPK1 O15530 1/20 0.33
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL29629433 0.73 COMT (0.39) NISCHNPY5RMTORADKMAPK13
SCHEMBL313808 0.71 MASP2 (0.44) NPY5RDYRK1AHPGDS
SCHEMBL19463621 0.70 PIN1 (0.43) MAPK13KDM4EALDH1A1DYRK1A
SCHEMBL16631958 0.70 MEN1 (0.42) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL4967794 0.68 PDE4A (0.44) NPY5RMAPK13MAPK12MAPK11MAPK14
SCHEMBL14831001 0.67 ADORA2A (0.32) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7454459 0.65 PDE3B (0.50) NPY5RALDH1A1MAPTHPGDHSD17B10
SCHEMBL3480692 0.64
SCHEMBL28047898 0.64 SCN2A (0.38) NPY5RSCN2ARECQLHPGDS
SCHEMBL15541493 0.64 PI4KA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020149715-A1 PYRROLOPYRIDINE DERIVATIVE AND USE THEREOF IN PREVENTION AND TREATMENT OF PROTEIN KINASE-RELATED DISEASE 주식회사 보로노이 2020-07-23 WO claimed
EP-4010080-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2022-06-15 EP disclosed
WO-2021028643-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2021-02-18 WO disclosed
EP-3386498-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF Jawaharlal Nehru Centre For Advanced Scientific Research (IN) 2018-10-17 EP disclosed
WO-2017098467-A1 METHOD FOR MODULATING AUTOPHAGY AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2017-06-15 WO disclosed
EP-1968568-A2 INHIBITORS OF Akt ACTIVITY SmithKline Beecham Corporation (US) 2008-09-17 EP disclosed
WO-2007076423-A2 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-07-05 WO disclosed