SCHEMBL5823980

SCHEMBL5823980

CCN1CCN(C(=O)CN2CCN(c3cc(Nc4ccc(N5CCOCC5)cc4)nc(SC)n3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.49
AURKB Q96GD4 2/20 0.45
AURKA O14965 2/20 0.45
NAMPT P43490 1/20 0.44
CYP1A2 P05177 1/20 0.42
KDR P35968 4/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
JAK2 O60674 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAD52 P43351 1/20 0.41
BRAF P15056 2/20 0.40
RAF1 P04049 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL5820251 0.94 CYP1A2 (0.45) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5820813 0.94 NAMPT (0.47) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5823039 0.93 AURKA (0.50) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5821064 0.92 SMN1; SMN2 (0.44) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5816069 0.92 AURKA (0.43) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5821753 0.91 AURKA (0.45) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5815028 0.90 RAB9A (0.46) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5821823 0.90 JAK3 (0.42) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5820439 0.89 NAMPT (0.44) ZAP70AURKBAURKANAMPTCYP1A2
SCHEMBL5823587 0.89 JAK2 (0.43) AURKBAURKANAMPTCYP1A2KDR

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 disclosed