SCHEMBL30971031

SCHEMBL30971031

CCn1cc(C#N)c2c(-c3c(C)ccc(OC)c3C)cc(C(N)=O)nc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 7/20 0.36
▸ XDH P47989 1/20 0.34
▸ CFTR P13569 2/20 0.34
▸ F11 P03951 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ PKMYT1 Q99640 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL30971293 0.92 GRM2 (0.34) GRM2XDHCFTRF11KDM4E
SCHEMBL30971048 0.91 GRM2 (0.35) GRM2XDHCFTRF11KDM4E
SCHEMBL30971037 0.89 PKMYT1 (0.38) GRM2XDHF11PKMYT1MEN1
SCHEMBL27388054 0.89 PKMYT1 (0.38) GRM2XDHF11PKMYT1MEN1
SCHEMBL30971091 0.88 GRM2 (0.37) GRM2XDHCFTRF11KDM4E
SCHEMBL30971164 0.87 XDH (0.41) GRM2XDH
SCHEMBL30971276 0.87 GRM2 (0.37) GRM2PKMYT1
SCHEMBL30971282 0.83 GRM2 (0.35) GRM2XDHPKMYT1
SCHEMBL30971053 0.83 ALDH1A1 (0.37) F11KDM4ETNFHPGDKMT2A
SCHEMBL30971108 0.80 PKMYT1 (0.36) GRM2PKMYT1MEN1KMT2A

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
EP-4638420-A1 COMPOUNDS THAT INHIBIT PKMYT1 Exelixis, Inc. (US) 2025-10-29 — — EP disclosed
WO-2024137671-A1 COMPOUNDS THAT INHIBIT PKMYT1 EXELIXIS, INC. (US) 2024-06-27 — — WO disclosed
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