SCHEMBL7852078

SCHEMBL7852078

O=C(O)CNCC1CCN(c2cc(Nc3ccc(F)c(Cl)c3)ncn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 6/20 0.45
EGFR P00533 5/20 0.42
ERBB3 P21860 2/20 0.41
MAPT P10636 2/20 0.41
ERBB2 P04626 1/20 0.41
POLB P06746 1/20 0.41
SCN9A Q15858 1/20 0.40
TP53 P04637 1/20 0.40
BTK Q06187 1/20 0.40
KMO O15229 1/20 0.40
MAP3K8 P41279 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
SCHEMBL7851258 0.90 EGFR (0.44) MALT1EGFRMAPTERBB2SCN9A
SCHEMBL7854432 0.89 BTK (0.45) MALT1EGFRERBB3MAPTSCN9A
SCHEMBL7844668 0.88 EGFR (0.42) MALT1EGFRMAPTERBB2SCN9A
SCHEMBL7854183 0.87 EGFR (0.43) MALT1EGFRMAPTERBB2POLB
SCHEMBL7855000 0.85 EGFR (0.43) MALT1EGFRMAPTERBB2SCN9A
SCHEMBL7856240 0.83 MALT1 (0.43) MALT1EGFRERBB3MAPTERBB2
SCHEMBL7853478 0.83 BTK (0.42) MALT1EGFRERBB3MAPTSCN9A
SCHEMBL7853525 0.82 MCHR1 (0.47) EGFRERBB3ERBB2KMO
SCHEMBL7855396 0.82 EGFR (0.42) MALT1EGFRERBB3MAPTERBB2
SCHEMBL7853244 0.82 HPGD (0.48) MALT1EGFRERBB3MAPTERBB2

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