SCHEMBL30755526

SCHEMBL30755526

CC(C)(C)OC(=O)c1c(C2CCC(F)(F)CC2)ccc(C(F)(F)F)c1CBr

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.34
▸ NR1H3 Q13133 3/20 0.34
▸ RXRA P19793 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ IDH2 P48735 1/20 0.33
▸ IL1B P01584 3/20 0.33
▸ P2RX7 Q99572 3/20 0.33
▸ OPRL1 P41146 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RBP4 P02753 1/20 0.31
▸ KCNH2 Q12809 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL27379106 1.00 NR1H2 (0.34) NR1H2NR1H3RXRAIDH1IDH2
SCHEMBL30755349 0.87 GPR119 (0.36) IDH1IDH2IL1BP2RX7SCN9A
SCHEMBL27377777 0.87 GPR119 (0.36) IDH1IDH2IL1BP2RX7SCN9A
SCHEMBL27379422 0.86 P2RX7 (0.35) IL1BP2RX7TP53
SCHEMBL30755381 0.86 P2RX7 (0.35) IL1BP2RX7TP53
SCHEMBL30755472 0.85 IDH1 (0.35) NR1H2NR1H3RXRAIDH1IDH2
SCHEMBL27374381 0.82 MEN1 (0.35) IDH1IDH2IL1BP2RX7KCNH2
SCHEMBL27375857 0.79 MEN1 (0.36) NR1H2IDH1IDH2IL1BP2RX7
SCHEMBL30755212 0.77 CA12 (0.37) IDH1IDH2IL1BP2RX7
SCHEMBL27375885 0.77 CA12 (0.37) IDH1IDH2IL1BP2RX7

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-4562016-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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