SCHEMBL9748506

SCHEMBL9748506

CCc1c(C(=O)O)c(=O)c2cc(F)c(Cl)cc2n1NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 9/20 0.38
PIM2 Q9P1W9 4/20 0.38
GSK3A P49840 2/20 0.38
PIM3 Q86V86 2/20 0.38
TOP1 P11387 2/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
DRD3 P35462 1/20 0.32
PRKD3 O94806 1/20 0.32
GSK3B P49841 1/20 0.32
IRAK1 P51617 1/20 0.32
RPS6KA3 P51812 1/20 0.32
DYRK1A Q13627 1/20 0.32
CSNK1G3 Q9Y6M4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL10553019 0.85 PIM1 (0.35) PIM1PIM2GSK3APIM3KDM4E
SCHEMBL9341876 0.83 PIM1 (0.50) PIM1PIM2GSK3APIM3KDM4E
SCHEMBL20527932 0.81 PIM1 (0.48) PIM1PIM2GSK3APIM3KDM4E
SCHEMBL9715578 0.79 KDM4E (0.39) PIM1PIM2GSK3APIM3KDM4E
SCHEMBL10427396 0.78 CCR3 (0.37) PIM1PIM2GSK3APIM3KDM4E
SCHEMBL9748573 0.77 PIM1 (0.36) PIM1PIM2GSK3APIM3HPGD
SCHEMBL10744402 0.71 PIM1 (0.37) PIM1PIM2GSK3APIM3KDM4E
SCHEMBL10751688 0.71 PIM1 (0.38) PIM1PIM2GSK3APIM3LMNA
SCHEMBL6212035 0.70 TOP1 (0.41) PIM1TOP1KDM4EMAPTHPGD
SCHEMBL6714654 0.70 IDO1 (0.39) PIM1PIM2GSK3APIM3KDM4E

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
EP-0248072-B1 AMIFLOXACINE INTERMEDIATE CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-03-18 EP disclosed
US-4806645-A Boric anhydrides of 6-fluoro-7-chloro-1-methylamino-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1989-02-21 US disclosed
EP-0248072-A1 AMIFLOXACINE INTERMEDIATE. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1987-12-09 EP disclosed
WO-1987003594-A1 AMIFLOXACINE INTERMEDIATE CHINOIN GYÓGYSZERRÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1987-06-18 WO disclosed