SCHEMBL9312434

SCHEMBL9312434

Cc1cccc(NC2CCCNC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.54
KCNH2 Q12809 4/20 0.54
MAPK3 P27361 3/20 0.54
MAPK1 P28482 3/20 0.54
AURKB Q96GD4 3/20 0.54
ITK Q08881 1/20 0.48
IDH2 P48735 1/20 0.48
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC2A1 P11166 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PRKCZ Q05513 1/20 0.44
HTR6 P50406 4/20 0.43
BRD4 O60885 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL6557163 0.91 SYK (0.53) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL6557166 0.91 SYK (0.53) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL19675966 0.83 PRKCZ (0.52) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL31357223 0.83 PRKCZ (0.52) SYKKCNH2MAPK3MAPK1AURKB
Oxalic Acid SCHEMBL9310658 0.83 SYK (0.55) SYKKCNH2MAPK3MAPK1AURKB
SCHEMBL11526598 0.82 SMN1; SMN2 (0.59) HPGDALOX12SMN1; SMN2NPC1RAB9A
SCHEMBL12327882 0.82 HPGD (0.55) HPGDALOX12SMN1; SMN2NPC1RAB9A
SCHEMBL1496158 0.82 IDH2 (0.48) MAPK1IDH2NPC1RAB9APRKCZ
SCHEMBL24171954 0.81 ITK (0.52) ITKIDH2SMN1; SMN2NPC1RAB9A
SCHEMBL8989433 0.81 HTR6 (0.53) SYKKCNH2MAPK3MAPK1AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292738-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1994-03-08 US disclosed
US-5157035-A Viricides JANSSEN PHARMACEUTICA N. V. (BE) 1992-10-20 US disclosed
US-5001125-A Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-03-19 US disclosed
EP-0156433-B1 ANTI-VIRALLY ACTIVE PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-27 EP disclosed
EP-0156433-A2 Anti-virally active pyridazinamines JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-02 EP disclosed