SCHEMBL30979022

SCHEMBL30979022

Cc1nnc2nc(Nc3ccccc3)c3ccc(C#Cc4ccccc4)cc3n12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.38
▸ PTAFR P25105 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ TP53 P04637 5/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ MAPT P10636 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GRM5 P41594 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPY5R Q15761 1/20 0.33

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
SCHEMBL30978943 0.93 PTAFR (0.38) EGFRPTAFRKDRTP53POLB
SCHEMBL30979076 0.83 EGFR (0.42) EGFRKDRTP53POLBTDP1
SCHEMBL30979115 0.82 KDM4E (0.46) EGFRKDRTP53POLBTDP1
SCHEMBL30979013 0.81 TP53 (0.43) EGFRKDRTP53POLBTDP1
SCHEMBL30978990 0.81 TP53 (0.43) EGFRPTAFRKDRTP53POLB
SCHEMBL30979073 0.80 ABCG2 (0.41) EGFRKDRTP53TDP1KDM4E
SCHEMBL30979029 0.80 TP53 (0.39) EGFRKDRTP53POLBTDP1
SCHEMBL30979104 0.80 TP53 (0.36) EGFRKDRTP53POLBTDP1
SCHEMBL30979121 0.79 KDM1A (0.46) EGFRTP53POLBTDP1KDM4E
SCHEMBL30978940 0.79 LATS1 (0.43) KDRTP53POLBTDP1KDM4E

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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