SCHEMBL9217209

SCHEMBL9217209

CCCn1c(=O)c2c(N)n(CC(F)(F)F)nc2c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
PGR P06401 3/20 0.42
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
RORA P35398 2/20 0.41
RORC P51449 2/20 0.41
RORB Q92753 2/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9217137 0.85 ADORA3 (0.43) ADORA3PGRKDM4EGAARORA
SCHEMBL9209360 0.85 ADORA3 (0.43) ADORA3PGRKDM4EGAARORA
SCHEMBL9208724 0.81 ADORA3 (0.47) ADORA3PGRKDM4EGAARORA
SCHEMBL9213745 0.75 KDM4E (0.47) ADORA3PGRKDM4EGAAPOLB
SCHEMBL9198164 0.65 PDE4A (0.58) ADORA3PGRKDM4EGAARORA
SCHEMBL1896422 0.65 ALDH1A1 (0.43) ADORA3KDM4ETSHRNPC1ALDH1A1
SCHEMBL27203707 0.64 HTR3A (0.42) KDM4EHSD17B10AURKASYKAURKB
SCHEMBL14374207 0.63 MAT2A (0.43) PGRKDM4ERORARORCRORB
SCHEMBL9213798 0.63 PGR (0.49) ADORA3PGRKDM4EGAARORA
SCHEMBL9851037 0.63 LMNA (0.50) ADORA3PGRKDM4EGAARORA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0476544-B1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO KK (JP) 1995-05-10 EP disclosed
US-5192768-A Antiinflammatory, hepatic insufficiency KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-03-09 US disclosed
EP-0476544-A1 Pyrazoloquinoline derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-03-25 EP disclosed