SCHEMBL16728883

SCHEMBL16728883

C/C1=C(C(N)=O)\C(I)=N/N2C(O)C2(COS(=O)(=O)c2ccc(C)cc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MMP13 P45452 1/20 0.34
P2RX7 Q99572 2/20 0.33
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
GPR119 Q8TDV5 7/20 0.33
STS P08842 1/20 0.32
PREP P48147 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
SCHEMBL16709109 0.71 MEN1 (0.35) KMT2AMEN1MMP13P2RX7JAK2
SCHEMBL26855934 0.70 KMT2A (0.47) KMT2AMEN1MMP13P2RX7GPR119
SCHEMBL25284834 0.69 KMT2A (0.47) KMT2AMEN1MMP13P2RX7GPR119
SCHEMBL16709103 0.69 MEN1 (0.35) KMT2AMEN1MMP13P2RX7JAK2
SCHEMBL18991406 0.69 KMT2A (0.46) KMT2AMEN1MMP13P2RX7GPR119
SCHEMBL27229006 0.68 KMT2A (0.44) KMT2AMEN1MMP13P2RX7JAK2
SCHEMBL27228949 0.68 KMT2A (0.45) KMT2AMEN1MMP13P2RX7GPR119
SCHEMBL29045144 0.68 KMT2A (0.45) KMT2AMEN1MMP13P2RX7GPR119
SCHEMBL26907080 0.68 KMT2A (0.45) KMT2AMEN1MMP13P2RX7GPR119
SCHEMBL8827499 0.66 GPR119 (0.45) KMT2AMEN1MMP13P2RX7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015073767-A1 SUBSTITUTED 4,5,6,7-TETRAHYDROPYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-21 WO disclosed