SCHEMBL30979071

SCHEMBL30979071

Cc1nnc2nc(Nc3cccc(OC(F)(F)F)c3)c3ccccc3n12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.51
▸ PIM1 P11309 9/20 0.48
▸ SYK P43405 1/20 0.46
▸ CTSC P53634 1/20 0.45
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.40
▸ BRD4 O60885 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ITK Q08881 1/20 0.39
▸ P2RX3 P56373 1/20 0.39

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
SCHEMBL30979147 0.85 CACNA1B (0.52) CACNA1BAPBA1NPSR1TP53POLB
SCHEMBL30979042 0.83 MAPT (0.50) NPSR1TP53POLBTDP1BRD4
SCHEMBL30979013 0.81 TP53 (0.43) TP53POLBTDP1BRD4EGFR
SCHEMBL30978990 0.78 TP53 (0.43) TP53POLBTDP1BRD4EGFR
SCHEMBL30979119 0.77 LATS1 (0.43) EPHX2TP53POLBTDP1BRD4
SCHEMBL30979016 0.77 NPY5R (0.47) NPSR1TP53POLBBRD4
SCHEMBL30979063 0.77 ABCG2 (0.52) POLB
SCHEMBL30979050 0.77 EGFR (0.41) TP53POLBTDP1BRD4EGFR
SCHEMBL30979053 0.76 ALDH1A1 (0.44) TP53POLBTDP1BRD4
SCHEMBL30978938 0.75 PDE5A (0.46) TP53POLBTDP1BRD4

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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