SCHEMBL4091067

SCHEMBL4091067

C#Cc1cccc2nc(CC)n(C(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHR1 P34998 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
RECQL P46063 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4566262 0.82 TSHR (0.35) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL4082939 0.78 TSHR (0.39) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL19135929 0.76 CYP1A2 (0.39) MAPK1POLBALDH1A1MEN1KMT2A
SCHEMBL7721500 0.70 POLB (0.63) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL21185366 0.64 PIK3CD (0.48) MAPK1POLBALDH1A1LMNAMAPT
SCHEMBL31411154 0.64 TLR7 (0.63) POLBLMNA
SCHEMBL25784287 0.64 BCHE (0.40) TSHRMAPK1POLBALDH1A1LMNA
SCHEMBL21185376 0.63 CRHBP (0.43) MAPK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL4566261 0.63 POLB (0.33) TSHRMAPK1POLBMEN1KMT2A
SCHEMBL13885373 0.63 GSK3B (0.32) TSHRMAPK1ALDH1A1LMNAMEN1

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
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed
WO-2009055674-A1 PYRROLOPYRIMIDINE ALKYNYL COMPOUNDS AND METHODS OF MAKING AND USING SAME TARGEGEN INC. (US) 2009-04-30 WO disclosed