SCHEMBL29197644

SCHEMBL29197644

O=C(O)N1CC=C(c2cc(F)c(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 4/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ BTK Q06187 2/20 0.38
▸ GRM5 P41594 3/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL29094612 0.91 PRMT5 (0.40) CDK9CCNT1PRMT5BTKGRM5
SCHEMBL24880538 0.89 PDK4 (0.46) CDK9CCNT1BTKGRM5
SCHEMBL30112411 0.89 PDK4 (0.46) CDK9CCNT1BTKGRM5
SCHEMBL29094575 0.88 CDK9 (0.38) CDK9CCNT1PRMT5BTKGRM5
SCHEMBL25169744 0.85 PRMT5 (0.44) CDK9PRMT5GRM5MAPT
SCHEMBL31630894 0.81 PDK4 (0.45) CDK9BTKGRM5
SCHEMBL29197745 0.81 PDK4 (0.45) CDK9BTKGRM5
SCHEMBL16107429 0.78 PIM1 (0.47) CDK9PRMT5BTKGRM5MAPT
SCHEMBL26927004 0.77 TNF (0.44) CDK9CCNT1BTKGRM5
SCHEMBL31443829 0.77 PDK4 (0.46) PRMT5BTKGRM5

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-117940414-A Compounds for targeting IRAK4 protein degradation 渤健马萨诸塞州股份有限公司 2024-04-26 — — CN disclosed
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