SCHEMBL30755381

SCHEMBL30755381

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.35
▸ IL1B P01584 7/20 0.35
▸ NR3C2 P08235 1/20 0.33
▸ TP53 P04637 2/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ RORC P51449 2/20 0.31
▸ HSD11B1 P28845 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
SCHEMBL27379422 1.00 P2RX7 (0.35) P2RX7IL1BNR3C2TP53FFAR4
SCHEMBL27377777 0.88 GPR119 (0.36) P2RX7IL1B
SCHEMBL30755349 0.88 GPR119 (0.36) P2RX7IL1B
SCHEMBL30755526 0.86 NR1H2 (0.34) P2RX7IL1BTP53
SCHEMBL27379106 0.86 NR1H2 (0.34) P2RX7IL1BTP53
SCHEMBL27379394 0.85 HSD11B1 (0.39) P2RX7IL1BNR3C2TP53RORC
SCHEMBL27374381 0.83 MEN1 (0.35) P2RX7IL1B
SCHEMBL27375857 0.80 MEN1 (0.36) P2RX7IL1BTP53RORC
SCHEMBL30755212 0.78 CA12 (0.37) P2RX7IL1BRORCHSD11B1
SCHEMBL27378973 0.78 MEN1 (0.38) P2RX7IL1B

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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