SCHEMBL23601305

SCHEMBL23601305

CCN(c1cccc(Br)c1)c1n/c(=N/N)[nH]c2cc(Cl)ccc12

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 4/20 0.42
EGFR P00533 2/20 0.33
KDR P35968 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PDGFRB P09619 1/20 0.32
PTGES O14684 1/20 0.32
MCL1 Q07820 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL23601321 0.86 EGFR (0.42) MAT2AEGFRKDRPDGFRB
SCHEMBL29141395 0.86 EGFR (0.42) MAT2AEGFRKDRPDGFRB
SCHEMBL30146701 0.86 EGFR (0.42) MAT2AEGFRKDRPDGFRB
SCHEMBL29909408 0.86 IDO1 (0.33) MAT2APTGES
SCHEMBL23576815 0.86 IDO1 (0.33) MAT2APTGES
SCHEMBL29210688 0.86 IDO1 (0.33) MAT2APTGES
SCHEMBL30013536 0.86 IDO1 (0.33) MAT2APTGES
SCHEMBL23576645 0.75 ESR1 (0.34) MAT2AEGFRKDRPDGFRB
SCHEMBL30013793 0.75 ESR1 (0.34) MAT2AEGFRKDRPDGFRB
SCHEMBL23577040 0.74 EGFR (0.43) EGFRKDRPDGFRBPTGES

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed