SCHEMBL4683798

SCHEMBL4683798

Cc1ccn(Cc2ccc(OC(C)C)cc2)c(=O)c1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.44
MAPT P10636 5/20 0.43
TP53 P04637 4/20 0.43
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPK1 P28482 1/20 0.38
LCK P06239 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK14 Q16539 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL4679105 0.85 MAPT (0.56) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4679158 0.82 F2R (0.47) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4683045 0.82 MAPT (0.46) MAPTTP53MEN1KMT2APOLB
SCHEMBL4682997 0.81 MAPT (0.66) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4682507 0.80 GRM2 (0.46) MAPTTP53LMNAHCRTR1HCRTR2
SCHEMBL4683797 0.80 MAPT (0.50) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4682745 0.80 MAPT (0.53) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4685054 0.78 MAPK14 (0.52) MAPTTP53MEN1KMT2APOLB
SCHEMBL4683703 0.73 DBH (0.52) MAPTTP53LMNAMEN1KMT2A
SCHEMBL4678971 0.72 MAPT (0.64) MAPTTP53LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 US disclosed
EP-1045836-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2000-10-25 EP disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 US disclosed
WO-1999031066-A1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed