SCHEMBL30979147

SCHEMBL30979147

Cc1nnc2nc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ABCG2 Q9UNQ0 6/20 0.50
▸ EGFR P00533 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TP53 P04637 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDR P35968 1/20 0.45
▸ IDH2 P48735 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NPY1R P25929 1/20 0.42

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
SCHEMBL30979073 0.85 ABCG2 (0.41) CACNA1BAPBA1NPSR1ABCG2EGFR
SCHEMBL30979042 0.85 MAPT (0.50) NPSR1ABCG2EGFRHTTTP53
SCHEMBL30979071 0.85 EPHX2 (0.51) CACNA1BAPBA1NPSR1EGFRTP53
SCHEMBL30979013 0.83 TP53 (0.43) ABCG2EGFRTP53MAPTKDR
SCHEMBL30978990 0.80 TP53 (0.43) ABCG2EGFRTP53MAPTKDR
SCHEMBL30979119 0.79 LATS1 (0.43) ABCG2TP53MAPTKDRPOLB
SCHEMBL30979016 0.78 NPY5R (0.47) NPSR1ABCG2HTTTP53MAPT
SCHEMBL30979050 0.78 EGFR (0.41) ABCG2EGFRTP53MAPTKMT2A
SCHEMBL30979053 0.77 ALDH1A1 (0.44) TSHRTP53MAPTKDRKMT2A
SCHEMBL30978938 0.77 PDE5A (0.46) ABCG2TSHRHTTTP53MAPT

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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