SCHEMBL4723463

SCHEMBL4723463

Cc1ccc(S(=O)(=O)n2ccc3c(NC(C)C)nc(Nc4ccc(C(=O)O)cc4)nc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KCNH3 Q9ULD8 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
LRRK2 Q5S007 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.37
MERTK Q12866 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
SCHEMBL4764792 0.92 CA1 (0.40) MAPTMEN1KMT2AKCNH3CA1
SCHEMBL14547910 0.89 KCNH3 (0.48) KCNH3CA1CA2CA9CDK1
SCHEMBL14547715 0.89 KMT2A (0.45) MAPTMEN1KMT2ARAB9ACA2
SCHEMBL4777744 0.84 LRRK2 (0.44) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL28991439 0.79 ALDH1A1 (0.45) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5113381 0.77 L3MBTL1 (0.45) MEN1KMT2ACA1CA2L3MBTL1
SCHEMBL5123488 0.77 L3MBTL1 (0.45) MEN1KMT2ACA1CA2L3MBTL1
SCHEMBL4843165 0.76 LRRK2 (0.54) LRRK2KDRAURKASYKCDK5
SCHEMBL5124617 0.76 PTK2 (0.50) MAPTTDP1LRRK2KDRAURKA
SCHEMBL5114610 0.76 PTK2 (0.46) LRRK2CDK1CDK2KDRAURKA

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-1948659-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2008-07-30 EP disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed