SCHEMBL30979068

SCHEMBL30979068

CC(C)=Cc1ccc2c(Nc3ccccc3)nc3nnc(C)n3c2c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ BRD4 O60885 7/20 0.35
▸ EGFR P00533 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ BTK Q06187 2/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PTGS2 P35354 1/20 0.32
▸ NPY5R Q15761 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
SCHEMBL30979104 0.87 TP53 (0.36) TP53POLBTDP1LMNAMAPT
SCHEMBL30979029 0.82 TP53 (0.39) TP53POLBTDP1LMNAMAPT
SCHEMBL30979076 0.82 EGFR (0.42) TP53POLBTDP1LMNAMAPT
SCHEMBL30979115 0.81 KDM4E (0.46) TP53POLBTDP1LMNAMAPT
SCHEMBL30979013 0.80 TP53 (0.43) TP53POLBTDP1LMNAMAPT
SCHEMBL30979073 0.78 ABCG2 (0.41) TP53TDP1MAPTEGFRKDM4E
SCHEMBL30979022 0.78 EGFR (0.38) TP53POLBTDP1LMNAMAPT
SCHEMBL30978943 0.78 PTAFR (0.38) TP53POLBTDP1LMNAMAPT
SCHEMBL31169427 0.78 TP53 (0.36) TP53POLBTDP1LMNAMAPT
SCHEMBL30978940 0.77 LATS1 (0.43) TP53POLBTDP1LMNAMAPT

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