SCHEMBL8783

SCHEMBL8783

Cc1c(F)ccc2cc(C(C)N)c(N3CCN(c4ccccn4)CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 3/20 0.45
HSD17B10 Q99714 3/20 0.45
HTT P42858 3/20 0.45
HPGD P15428 3/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 5/20 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
SCHEMBL14481040 1.00 ALDH1A1 (0.45) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL14481065 0.87 KDM4E (0.40) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL8641 0.87 KDM4E (0.40) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL14481180 0.84 CHRNA7 (0.45) ALDH1A1LMNAMAPTKDM4EPOLB
Hydrochloric Acid SCHEMBL721449 0.81 OPRK1 (0.40) ALDH1A1MAPTKDM4EPOLBHSD17B10
SCHEMBL14481042 0.80 PIK3CD (0.41) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL14481043 0.80 PIK3CD (0.41) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL2115940 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL2115939 0.79 ALDH1A1 (0.36) ALDH1A1LMNAMAPTKDM4EPOLB
SCHEMBL2117487 0.79 OPRK1 (0.38) ALDH1A1LMNAMAPTKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-09-19 EP disclosed
WO-2011058108-A1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2011-05-19 WO disclosed