SCHEMBL4712409

SCHEMBL4712409

CNc1nc(SC)ncc1C=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NTRK1 P04629 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
TBXA2R P21731 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGDR Q13258 1/20 0.37
ALDH1A1 P00352 2/20 0.36
P4HTM Q9NXG6 1/20 0.36
SYK P43405 1/20 0.34
EIF2AK2 P19525 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL22150294 0.88 MEN1 (0.41) MEN1KMT2ANTRK1KDM4ELMNA
SCHEMBL16120484 0.88 MEN1 (0.41) MEN1KMT2ANTRK1KDM4ELMNA
SCHEMBL4713326 0.85 ALDH1A1 (0.41) MEN1KMT2ANTRK1KDM4ELMNA
SCHEMBL16094448 0.82 MERTK (0.46) MEN1KMT2ANTRK1ALDH1A1SYK
SCHEMBL4714245 0.81 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1SYK
SCHEMBL10192488 0.81 ALDH1A1 (0.46) MEN1KMT2ALMNAALDH1A1SYK
SCHEMBL23414166 0.81 MEN1 (0.42) MEN1KMT2ANTRK1KDM4ELMNA
SCHEMBL4715171 0.81 MEN1 (0.42) MEN1KMT2ANTRK1KDM4ELMNA
SCHEMBL4715183 0.80 MEN1 (0.45) MEN1KMT2AKDM4ESYKCCNA2
SCHEMBL16094781 0.79 KMT2A (0.44) MEN1KMT2ASYKCCNA2CDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0964864-B1 PYRIDO 2,3-D PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER LAMBERT CO (US) 2008-04-09 EP claimed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP claimed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO claimed
EP-0964864-A2 PYRIDO 2,3-D] PYRIMIDINES AND 4-AMINOPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-22 EP disclosed
WO-1998033798-A2 PYRIDO[2,3-D]PYRIMIDINES AND 4-AMINO-PYRIMIDINES AS INHIBITORS OF CELL PROLIFERATION WARNER LAMBERT COMPANY (US) 1998-08-06 WO disclosed