SCHEMBL5815015

SCHEMBL5815015

CNC(=O)CN1CCN(c2cc(Nc3ccc(N4CCOCC4)cc3)nc(SC)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.47
AURKB Q96GD4 1/20 0.47
CYP1A2 P05177 1/20 0.44
RGS12 O14924 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ZAP70 P43403 1/20 0.43
STAT6 P42226 1/20 0.43
KMT2A Q03164 2/20 0.43
KDR P35968 4/20 0.42
BRAF P15056 2/20 0.42
RAF1 P04049 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FGFR1 P11362 1/20 0.42
TEK Q02763 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL5824056 0.91 AURKA (0.48) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5402668 0.91 AURKA (0.48) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5823423 0.90 AURKA (0.46) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5823053 0.90 AURKA (0.45) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5821773 0.89 AURKA (0.45) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5822050 0.88 INSR (0.46) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5820767 0.87 AURKA (0.43) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5820813 0.87 NAMPT (0.47) AURKAAURKBCYP1A2ZAP70KMT2A
SCHEMBL5381175 0.87 AURKA (0.47) AURKAAURKBCYP1A2RGS12SMN1; SMN2
SCHEMBL5820251 0.87 CYP1A2 (0.45) AURKAAURKBCYP1A2SMN1; SMN2ZAP70

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-2006137706-A1 6-(4-SUBSTITUTED-ANILINO)PYRIMIDINE DERIVATIVES, METHOD FOR PREPARING THEREOF AND ANTIVIRAL PHARMACEUTICAL COMPOSITION COMPRISING THE SAME B & C BIOPHARM. CO., LTD. (KR) 2006-12-28 WO claimed