SCHEMBL20057362

SCHEMBL20057362

CNC(O)c1cc2ccc(NCCN(C)C)nc2n2c1nc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL20057363 0.86 KMT2A (0.43) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL17254987 0.80 KDM4E (0.41) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL18205761 0.80 KDM4E (0.42) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL18057397 0.80 KDM4E (0.42) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL17255009 0.79 KDM4E (0.54) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL17255077 0.78 KDM4E (0.46) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL17254977 0.76 KDM4E (0.47) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL21208540 0.71 PARP1 (0.43) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL18213594 0.69 KDM4E (0.40) KDM4EKMT2AMEN1HSP90AA1MAPK1
SCHEMBL23160995 0.69 KDM4E (0.41) KDM4EKMT2AMEN1HSP90AA1MAPK1

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-3140305-B1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM PIMERA INC (US) 2018-04-18 — — EP disclosed
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