SCHEMBL23601587

SCHEMBL23601587

COc1ccc(-c2cccc(N(C)c3nc(=N)n(C=N)c4cc(C=O)ccc34)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.34
PDGFRB P09619 4/20 0.34
KDR P35968 4/20 0.34
PDGFRA P16234 1/20 0.33
DHODH Q02127 1/20 0.33
CHEK1 O14757 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP2A6 P11509 1/20 0.32
DYRK1A Q13627 1/20 0.32
BACE1 P56817 1/20 0.32
HSD17B1 P14061 3/20 0.32
HSD17B2 P37059 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
ABCB1 P08183 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
SCHEMBL23601857 0.91 DHODH (0.35) DHODHNPC1RAB9AALDH1A1DYRK1A
SCHEMBL23600472 0.87 KDM4E (0.34) DHODHALDH1A1MEN1KMT2A
SCHEMBL23601785 0.84 EGFR (0.34) EGFRPDGFRBKDRPDGFRADHODH
SCHEMBL23601250 0.81 DHODH (0.33) DHODHDYRK1A
SCHEMBL29909055 0.81 ALDH1A1 (0.36) EGFRPDGFRBKDRNPC1RAB9A
SCHEMBL23576801 0.81 ALDH1A1 (0.36) EGFRPDGFRBKDRNPC1RAB9A
SCHEMBL23601391 0.79 EGFR (0.46) EGFRPDGFRBKDRPDGFRA
SCHEMBL23601707 0.78 PDE5A (0.42) EGFRPDGFRBKDRDHODH
SCHEMBL23601637 0.73 DHODH (0.32) DHODH
SCHEMBL23601723 0.72 PDE5A (0.36) CHEK1ALDH1A1DYRK1AMEN1KMT2A

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