SCHEMBL172136

SCHEMBL172136

COc1ccc(C2=CN3N=C(NC(=O)Nc4ccccc4OCCC(C)C)NC3C=C2)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.45
MEN1 O00255 4/20 0.45
PABPC1 P11940 2/20 0.45
KDM4E B2RXH2 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
PPIA P62937 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
DDX3X O00571 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
GAA P10253 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL799281 0.72 KMT2A (0.49) KMT2AMEN1PABPC1KDM4ELMNA
SCHEMBL799159 0.70 PIK3CG (0.47) KMT2AMEN1PABPC1
SCHEMBL798680 0.69 RIPK1 (0.48) KMT2AMEN1PABPC1
SCHEMBL172085 0.68 ABL1 (0.49) KMT2AMEN1PABPC1KDM4ENPC1
SCHEMBL798733 0.68 PIK3CG (0.61) KMT2AMEN1PABPC1KDM4ENPC1
SCHEMBL14517911 0.63 KDM4E (0.73) KMT2AMEN1KDM4ENPC1SMN1; SMN2
SCHEMBL11051398 0.61 KMT2A (0.53) KMT2AMEN1KDM4EL3MBTL1LMNA
SCHEMBL798739 0.61 KDM4E (0.41) KMT2AMEN1PABPC1KDM4EPPIA
SCHEMBL11051369 0.58 GAA (0.56) KMT2AMEN1KDM4EL3MBTL1NPC1
SCHEMBL9297476 0.57 KMT2A (0.75) KMT2AMEN1PABPC1KDM4EL3MBTL1

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
EP-2426135-A1 UREA DERIVATIVE HAVING PI3K INHIBITORY ACTIVITY Shionogi&Co., Ltd. (JP) 2012-03-07 EP disclosed