SCHEMBL6684027

SCHEMBL6684027

Cc1ccc(-c2csc3ncnc(N4CCC(=O)CC4)c23)cc1.Cc1sc2ncnc(N3CCC(=O)CC3)c2c1-c1ccccc1.O=C1CCN(c2ncnc3scc(-c4ccc(Br)cc4)c23)CC1.O=C1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.56
MEN1 O00255 8/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 4/20 0.56
KDM4E B2RXH2 2/20 0.56
NPSR1 Q6W5P4 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
AURKA O14965 1/20 0.50
HPGD P15428 1/20 0.50
AURKB Q96GD4 1/20 0.50
NOD2 Q9HC29 1/20 0.49

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
SCHEMBL6838275 0.84 KMT2A (0.69) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL6832453 0.84 KMT2A (0.57) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL6838294 0.84 MEN1 (0.67) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL6838330 0.82 LMNA (0.73) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL6698237 0.74 KMT2A (0.40) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL24034414 0.73 KMT2A (0.69) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL6666685 0.73 MAPT (0.56) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL2369149 0.72 MEN1 (0.71) KMT2AMEN1LMNAHTTKDM4E
SCHEMBL14969443 0.72 KMT2A (0.53) KMT2AMEN1NOD2
SCHEMBL6838309 0.69 LMNA (0.56) KMT2AMEN1LMNAALDH1A1MAPT

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-2004014850-A2 SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-02-19 WO disclosed