SCHEMBL4683045

SCHEMBL4683045

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
TP53 P04637 3/20 0.46
F2R P25116 9/20 0.45
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39
HTR6 P50406 1/20 0.38
VEGFA P15692 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
IDO1 P14902 1/20 0.37

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
SCHEMBL4682745 0.86 MAPT (0.53) MAPTTP53POLBMEN1KMT2A
SCHEMBL4682997 0.84 MAPT (0.66) MAPTTP53POLBMEN1KMT2A
SCHEMBL4683797 0.83 MAPT (0.50) MAPTTP53F2RPOLBMEN1
SCHEMBL4683798 0.82 P2RX3 (0.44) MAPTTP53POLBMEN1KMT2A
SCHEMBL4685054 0.81 MAPK14 (0.52) MAPTTP53POLBMEN1KMT2A
SCHEMBL4679105 0.79 MAPT (0.56) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL19501367 0.79 EGLN1 (0.53) MAPTTP53POLBTHRBVEGFA
SCHEMBL4679158 0.77 F2R (0.47) MAPTTP53F2RPOLBMEN1
SCHEMBL4682507 0.75 GRM2 (0.46) MAPTTP53CYP3A4TSHR
SCHEMBL4679285 0.73 TP53 (0.39) MAPTTP53POLBMEN1KMT2A

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