SCHEMBL6669833

SCHEMBL6669833

CCN(CC)C(CCC(C)N)c1nc(-c2ccc(-c3cc4ccccc4s3)s2)nc2cc(Cl)ccc12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 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
SCHEMBL6667631 0.84 RXFP1 (0.31)
SCHEMBL5917501 0.79 NPC1 (0.44) KDM1A
SCHEMBL6668153 0.76 NR4A2 (0.35)
SCHEMBL3972641 0.73 CCR4 (0.53)
SCHEMBL6667178 0.71 FLT3 (0.37)
SCHEMBL3973803 0.70 MAPT (0.31)
SCHEMBL6667816 0.67 FLT3 (0.42)
SCHEMBL16568037 0.66 NR4A2 (0.46)
SCHEMBL12473354 0.65 KDM1A (0.49) KDM1A
SCHEMBL12473356 0.63 KDM1A (0.49) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed