SCHEMBL9217137

SCHEMBL9217137

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.43
PGR P06401 3/20 0.40
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
RORA P35398 2/20 0.40
RORC P51449 2/20 0.40
RORB Q92753 2/20 0.40
GAA P10253 2/20 0.40
USP2 O75604 4/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9217209 0.85 ADORA3 (0.45) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL9209360 0.83 ADORA3 (0.43) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL9208724 0.70 ADORA3 (0.47) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL9213745 0.69 KDM4E (0.47) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL9213798 0.68 PGR (0.49) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL9218908 0.66 PLK1 (0.46) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL9209339 0.66 KDM4E (0.44) ADORA3KDM4EALDH1A1LMNAPOLB
SCHEMBL9198164 0.63 PDE4A (0.58) ADORA3PGRKDM4EALDH1A1LMNA
SCHEMBL14374207 0.62 MAT2A (0.43) PGRKDM4EALDH1A1LMNAPOLB
SCHEMBL9851037 0.61 LMNA (0.50) ADORA3PGRKDM4EALDH1A1LMNA

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