SCHEMBL9069902

SCHEMBL9069902

Clc1ccnc2ccc3cn[nH]c3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.47
MAPT P10636 2/20 0.38
DYRK1A Q13627 2/20 0.36
PIK3CA P42336 2/20 0.33
AKT1 P31749 1/20 0.32
LRRK2 Q5S007 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
KDR P35968 2/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
MAP4K4 O95819 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
FGFR1 P11362 1/20 0.32
PDGFRA P16234 1/20 0.32
LTK P29376 1/20 0.32
MAP2K2 P36507 1/20 0.32

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
SCHEMBL9073237 0.80 MAPT (0.38) NOS1MAPTPIK3CAAKT1LRRK2
SCHEMBL9073146 0.76 TGFBR1 (0.47) MAPTLRRK2KDRAURKAMEN1
Hydrochloric Acid SCHEMBL9070445 0.75 TGFBR1 (0.47) MAPTLRRK2KDRAURKAMEN1
SCHEMBL3465347 0.74 NOS1 (0.47) NOS1AURKACSNK1A1PTK2CYP3A4
SCHEMBL9070472 0.74 NOS1 (0.49) NOS1MAPTDYRK1ALRRK2CLK4
SCHEMBL9370791 0.72 MEN1 (0.46) MAPTLRRK2KDM4EMEN1BLM
SCHEMBL15590904 0.72 MAPT (0.42) NOS1MAPTDYRK1APIK3CALRRK2
SCHEMBL9073199 0.71 ALDH1A1 (0.39) MAPTCDK5ALDH1A1
SCHEMBL12480398 0.71 NOS1 (0.52) NOS1MAPTDYRK1ALRRK2CLK4
SCHEMBL10758608 0.70 PARP1 (0.46) MAPTDYRK1ALRRK2CLK4DYRK1B

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
US-5506235-A Quinoline derivatives as immunostimulants PFIZER INC. (US) 1996-04-09 US disclosed
EP-0597003-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1994-05-18 EP disclosed
WO-1993003030-A1 QUINOLINE DERIVATIVES AS IMMUNOSTIMULANTS PFIZER INC. (US) 1993-02-18 WO disclosed