SCHEMBL16712480

SCHEMBL16712480

Cc1ncccc1-c1nc2c(Cl)cccc2cc1CC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.42
P2RX7 Q99572 1/20 0.38
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DPP4 P27487 1/20 0.36
PIK3CG P48736 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
Hydrochloric Acid SCHEMBL4437577 0.82 PIK3CD (0.43) PIK3CDP2RX7CCR1CCR8L3MBTL1
SCHEMBL4432811 0.82 PIK3CD (0.43) PIK3CDP2RX7CCR1CCR8L3MBTL1
SCHEMBL4441908 0.82 PIK3CD (0.45) PIK3CDP2RX7CCR1CCR8L3MBTL1
SCHEMBL16712478 0.79 PDE2A (0.37) PIK3CDCCR1CCR8L3MBTL1PIK3CG
SCHEMBL15363592 0.77 PIK3CD (0.41) PIK3CDCCR1CCR8L3MBTL1PIK3CG
SCHEMBL4178020 0.76 CCR1 (0.39) PIK3CDCCR1CCR8L3MBTL1ALDH1A1
SCHEMBL10251837 0.75 PIK3CD (0.43) PIK3CDCCR1CCR8L3MBTL1PIK3CG
SCHEMBL16712452 0.74 P2RX7 (0.35) PIK3CDP2RX7PTGS2
Hydrochloric Acid SCHEMBL4174758 0.74 PIK3CD (0.43) PIK3CDCCR1CCR8L3MBTL1PIK3CG
SCHEMBL4175840 0.74 PIK3CD (0.45) PIK3CDP2RX7CCR1CCR8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614061-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2015-05-20 EP disclosed