SCHEMBL4593797

SCHEMBL4593797

Cc1csc2ncnc(Nc3ccccc3OC3CCN(c4ccccn4)C3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOD2 Q9HC29 1/20 0.42
PIK3CD O00329 4/20 0.41
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
PDE10A Q9Y233 3/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
KCNH2 Q12809 1/20 0.36
PIK3CA P42336 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
SRC P12931 1/20 0.36
PDE3B Q13370 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
SCHEMBL3798463 0.83 RAB9A (0.50) RAB9AHTTSMN1; SMN2LMNARXFP1
SCHEMBL3803043 0.82 PIP4K2C (0.46) RAB9ALMNARXFP1NOD2EGFR
SCHEMBL3795373 0.82 EGFR (0.42) RAB9ALMNARXFP1NOD2PIK3CD
SCHEMBL3799478 0.81 LMNA (0.45) RAB9AHTTSMN1; SMN2LMNARXFP1
SCHEMBL3803590 0.80 LMNA (0.45) RAB9AHTTSMN1; SMN2LMNARXFP1
SCHEMBL3797069 0.80 PIP4K2C (0.42) RAB9AHTTSMN1; SMN2LMNARXFP1
SCHEMBL3799186 0.80 PIK3CD (0.41) RAB9ALMNARXFP1NOD2PIK3CD
SCHEMBL3805713 0.80 PIK3CD (0.40) RAB9AHTTLMNARXFP1NOD2
SCHEMBL3802291 0.80 PIK3CD (0.41) RAB9ALMNARXFP1NOD2PIK3CD
SCHEMBL3799584 0.80 PIP4K2C (0.41) RAB9AHTTSMN1; SMN2LMNARXFP1

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-1899353-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DeveloGen Aktiengesellschaft (DE) 2008-03-19 EP disclosed
WO-2006136402-A1 THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-12-28 WO disclosed