SCHEMBL29361290

SCHEMBL29361290

CC(C)(C)OC(=O)n1cc(-c2ccc(F)cn2)c2cccnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ MARK3 P27448 1/20 0.39
▸ MAP4K2 Q12851 1/20 0.39
▸ CAMK2B Q13554 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ ELANE P08246 10/20 0.39
▸ CDK1 P06493 3/20 0.38
▸ CCNB1 P14635 3/20 0.38
▸ CCNB2 O95067 2/20 0.38
▸ CCNB3 Q8WWL7 2/20 0.38
▸ TGFBR1 P36897 2/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ GSK3B P49841 2/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ GRM1 Q13255 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ PRKCB P05771 1/20 0.35
▸ LYN P07948 1/20 0.35

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
SCHEMBL30847419 0.80 CCNB2 (0.46) ELANECDK1CCNB1CCNB2CCNB3
SCHEMBL27153842 0.80 CCNB2 (0.46) ELANECDK1CCNB1CCNB2CCNB3
SCHEMBL31710700 0.80 ELANE (0.51) ELANECDK1CCNB1CCNB2CCNB3
SCHEMBL23163135 0.77 CDK1 (0.43) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL24710386 0.77 CCND1 (0.38) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL18253164 0.76 JAK1 (0.45) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL31219308 0.76 ELANE (0.47) ELANEPOLBDTYMK
SCHEMBL13425915 0.76 ELANE (0.47) ELANEPOLBDTYMK
SCHEMBL16562895 0.75 ELANE (0.44) ELANEPOLBDTYMK
SCHEMBL295518 0.74 ELANE (0.55) ELANEPOLBDTYMK

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-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
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