SCHEMBL20124470

SCHEMBL20124470

CC(F)(F)c1ccnc(Nc2ccc3c(N)ccc(Cl)c3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
SYK P43405 4/20 0.35
NR4A2 P43354 2/20 0.35
IDH2 P48735 1/20 0.35
MAP4K1 Q92918 4/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3C3 Q8NEB9 1/20 0.32
MASTL Q96GX5 3/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MAP3K12 Q12852 1/20 0.31
SLC40A1 Q9NP59 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
SCHEMBL9965317 0.91 NOS3 (0.42) PIM1SYKNR4A2IDH2ALDH1A1
SCHEMBL9972431 0.82 KARS1 (0.45) PIM1SYKNR4A2PIK3C3NOS3
SCHEMBL9938726 0.76 SYK (0.40) SYKIDH2ALDH1A1LMNAGLA
SCHEMBL25894645 0.74 SYK (0.39) PIM1SYKIDH2ALDH1A1LMNA
SCHEMBL22135115 0.73 SYK (0.39) PIM1SYKIDH2ALDH1A1LMNA
SCHEMBL9965322 0.71 NR4A2 (0.38) PIM1NR4A2LMNAPIK3C3NOS3
SCHEMBL9942448 0.71 LMNA (0.41) SYKIDH2ALDH1A1LMNAGLA
SCHEMBL1702136 0.70 KARS1 (0.43) SYKIDH2LMNAL3MBTL1NOS3
SCHEMBL22162991 0.70 SYK (0.36) PIM1SYKIDH2ALDH1A1LMNA
SCHEMBL29498282 0.69 IDH2 (0.44) SYKIDH2MAP3K12

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-2651416-B1 COMPOUNDS USEFUL FOR TREATING AIDS ABIVAX (FR) 2018-05-09 EP disclosed