SCHEMBL27771353

SCHEMBL27771353

COc1cc(NC(=O)c2cccs2)ccc1-c1ccnc(Nc2cccc(N)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.59
PDGFRB P09619 2/20 0.59
PDGFRA P16234 2/20 0.59
SRC P12931 2/20 0.59
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.54
KMT2A Q03164 4/20 0.52
IMPDH2 P12268 1/20 0.51
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDK5 Q00535 1/20 0.49
BCR P11274 3/20 0.48
EGFR P00533 1/20 0.48
PRKCA P17252 1/20 0.48
MEN1 O00255 3/20 0.48
RAB9A P51151 4/20 0.48
GAA P10253 3/20 0.48
NPC1 O15118 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL4003528 0.84 ABL1 (0.58) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL4000628 0.84 ABL1 (0.69) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL2941787 0.84 ABL1 (0.75) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL1762 0.74 ABL1 (1.00) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL5465088 0.74 RAB9A (0.59) ABL1SMN1; SMN2MAPTKMT2APOLB
SCHEMBL4002108 0.74 ABL1 (0.71) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL13874759 0.74 MAPT (1.00) SMN1; SMN2MAPTKMT2APOLBL3MBTL1
SCHEMBL5465340 0.72 ALDH1A1 (0.61) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL3523274 0.72 ABL1 (0.65) ABL1PDGFRBPDGFRASRCSMN1; SMN2
SCHEMBL4001863 0.71 MAPT (0.67) ABL1PDGFRBPDGFRASRCSMN1; SMN2

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
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN claimed
CN-101605766-A Pyrimidine derivatives and they are as the purposes of kinase inhibitor CGI PHARMACEUTICALS INC (US) 2009-12-16 CN disclosed