SCHEMBL23601009

SCHEMBL23601009

CN(c1cccc(-c2ccc(C(C)(F)F)nc2)c1)c1nc(=N)n(C=N)c2cc(Cl)ccc12

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.33
PSD A5PKW4 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NLRP3 Q96P20 1/20 0.31
EGFR P00533 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 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
SCHEMBL29909845 0.81 FNTA (0.36) DHODHPSDABCG2CSNK2A2CSNK2B
SCHEMBL23601379 0.81 FNTA (0.36) DHODHPSDABCG2CSNK2A2CSNK2B
SCHEMBL23601897 0.81 MAT2A (0.33) MAT2AEGFRCSNK2A2CSNK2B
SCHEMBL23601374 0.80 DHODH (0.37) DHODHMAT2ACSNK2A2CSNK2B
SCHEMBL23601273 0.77 TDP1 (0.39) DHODHMAT2AKDM4E
SCHEMBL23601515 0.76 SLC6A4 (0.32) MAT2AEGFR
SCHEMBL23601637 0.76 DHODH (0.32) DHODH
SCHEMBL23601434 0.75 FNTA (0.36) PSDABCG2
SCHEMBL31169421 0.75 FNTA (0.36) PSDABCG2
SCHEMBL29909758 0.75 ABCG2 (0.37) DHODHABCG2

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