SCHEMBL7844097

SCHEMBL7844097

O=C1CN(C2CCC(Nc3cc(Nc4cccc(Cl)c4)ncn3)CC2)CCO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.42
IRAK4 Q9NWZ3 4/20 0.41
ERBB3 P21860 2/20 0.41
TNNI3K Q59H18 1/20 0.41
PRKDC P78527 1/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
CNR2 P34972 3/20 0.37
PAK1 Q13153 1/20 0.35
LMNA P02545 1/20 0.35
CTSV O60911 1/20 0.35
PLAT P00750 1/20 0.35
CTSL P07711 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CASP14 P31944 1/20 0.35
CTSK P43235 1/20 0.35
CASP6 P55212 1/20 0.35
CTSZ Q9UBR2 1/20 0.35

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
SCHEMBL7695198 0.87 KCNH2 (0.44) EGFRIRAK4
SCHEMBL7695196 0.87 KCNH2 (0.44) EGFRIRAK4
SCHEMBL7582382 0.80 EGFR (0.51) EGFRIRAK4
SCHEMBL12481653 0.75 MEN1 (0.57) EGFRERBB3TNNI3KPRKDCLMNA
SCHEMBL7856226 0.74 EGFR (0.52) EGFRERBB3TNNI3KABL1BCR
SCHEMBL8797830 0.73 PRCP (0.60) EGFRERBB3TNNI3KPRKDC
SCHEMBL8798474 0.73 PRCP (0.60) EGFRERBB3TNNI3KPRKDC
SCHEMBL8799789 0.73 EGFR (0.52) EGFRIRAK4ERBB3TNNI3KPRKDC
SCHEMBL8798286 0.73 EGFR (0.59) EGFRERBB3TNNI3KABL1LMNA
SCHEMBL7856266 0.72 EGFR (0.40) EGFRERBB3TNNI3KPRKDCCNR2

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-1163242-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM Boehringer Ingelheim Pharma KG (DE) 2001-12-19 EP disclosed
WO-2000055162-A2 BICYCLIC HETEROCYCLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-21 WO disclosed