SCHEMBL793921

SCHEMBL793921

Nc1nc(N2CCN([CH][CH]Oc3ccc(Cl)cc3)CC2)c2nc(SCCc3ccccc3)[nH]c2n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 4/20 0.35
PI4KB Q9UBF8 2/20 0.34
EGFR P00533 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AR P10275 2/20 0.33
CETP P11597 2/20 0.32
MAP2K7 O14733 1/20 0.32
TNKS O95271 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
SCHEMBL654618 0.82 PI4KB (0.56) PI4KBALDH1A1
SCHEMBL652728 0.74 PI4KB (0.57) PI4KBALDH1A1
SCHEMBL1694444 0.74 PI4KB (0.52) PI4KBALDH1A1NPSR1
SCHEMBL655377 0.71 PI4KB (0.59) PI4KB
SCHEMBL657140 0.68 PI4KB (0.58) PI4KBALDH1A1
SCHEMBL16428361 0.68 LMNA (0.46) HRH4PI4KBALDH1A1
SCHEMBL653896 0.66 PI4KB (0.62) PI4KB
SCHEMBL1694165 0.65 GPR183 (0.52) PI4KBALDH1A1
SCHEMBL653158 0.63 PI4KB (0.58) PI4KB
SCHEMBL654736 0.61 PI4KB (0.62) PI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616077-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2013-07-24 EP claimed
WO-2012035423-A1 ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-03-22 WO claimed