SCHEMBL30013655

SCHEMBL30013655

CN(c1ccncc1)c1nc(Cl)nc2ccccc12

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.68
PDGFRB P09619 3/20 0.68
KDR P35968 3/20 0.68
PDE5A O76074 2/20 0.54
GBA1 P04062 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL23577267 1.00 EGFR (0.68) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL29909096 0.91 EGFR (0.76) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL3110618 0.91 EGFR (0.76) EGFRPDGFRBKDRPDE5AGBA1
Hydrochloric Acid SCHEMBL9776746 0.89 EGFR (0.74) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL3106603 0.86 EGFR (0.74) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL2262123 0.86 EGFR (0.74) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL3113257 0.85 EGFR (0.72) EGFRPDGFRBKDRPDE5A
SCHEMBL30013867 0.84 EGFR (0.60) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL23577438 0.84 EGFR (0.60) EGFRPDGFRBKDRPDE5AGBA1
SCHEMBL23576885 0.84 EGFR (0.71) EGFRPDGFRBKDRPDE5AGBA1

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
CN-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed