SCHEMBL29909030

SCHEMBL29909030

NNc1nc(N2CCOc3c(Br)cccc32)c2cc(F)ccc2n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 6/20 0.32
HTR6 P50406 1/20 0.32
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
GAA P10253 2/20 0.31
KMT2A Q03164 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 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
SCHEMBL29909344 0.85 EGFR (0.36) DHODHHTR6TUBB4ATUBBTUBA3C
SCHEMBL23577369 0.85 EGFR (0.36) DHODHHTR6TUBB4ATUBBTUBA3C
SCHEMBL24816017 0.85 MAPK1 (0.36) KDM4ELMNAHPGDTSHRMAPK1
SCHEMBL29909143 0.82 BCHE (0.40) DHODHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23577188 0.82 BCHE (0.40) DHODHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23601370 0.76 HTR6 (0.33) KDM4ELMNAHPGDMAPK1HTR6
SCHEMBL29909214 0.74 MAPT (0.33) HTR6GAAMAPT
SCHEMBL23577938 0.74 MAPT (0.33) HTR6GAAMAPT
SCHEMBL23576677 0.72 PIK3CA (0.32)
SCHEMBL29909207 0.72 PIK3CA (0.32)

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
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed