SCHEMBL14720153

SCHEMBL14720153

Cn1nc(NC(=O)O)c(Cc2cccc(Cl)c2Cl)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
P2RX7 Q99572 7/20 0.41
SLC22A12 Q96S37 2/20 0.39
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL14728258 0.85 REN (0.39) KMT2AMEN1P2RX7MAPK14POLB
SCHEMBL14720556 0.77 PNMT (0.41) KMT2AMEN1P2RX7SLC22A12POLB
SCHEMBL14720172 0.76 MEN1 (0.40) KMT2AMEN1P2RX7POLBNPSR1
SCHEMBL15844079 0.75 P2RX7 (0.37) KMT2AMEN1P2RX7SLC22A12MAPK14
SCHEMBL27873445 0.66 TSHR (0.61) KMT2AMEN1NPSR1ALDH1A1HTT
SCHEMBL20356564 0.64 CCR4 (0.40) KMT2AMEN1P2RX7SLC22A12PKM
SCHEMBL11406992 0.63 RAB9A (0.41) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL20356755 0.63 CCR4 (0.38) KMT2AMEN1SLC22A12NPSR1SMN1; SMN2
SCHEMBL10802129 0.62 PNMT (0.48) KMT2AMEN1P2RX7POLBALDH1A1
SCHEMBL9642442 0.62 P2RX7 (0.50) KMT2AMEN1P2RX7NPSR1ALDH1A1

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-2013028263-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed