SCHEMBL30178737

SCHEMBL30178737

CC(C)(C)OC(=O)N1CC=C(c2ccc3[nH]c4nnc(-c5ccccc5O)cc4c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ GRM1 Q13255 8/20 0.47
▸ GRM5 P41594 7/20 0.47
▸ SMARCA2 P51531 2/20 0.47
▸ SMARCA4 P51532 2/20 0.47
▸ PBRM1 Q86U86 2/20 0.47
▸ PDK4 Q16654 1/20 0.46
▸ SOS1 Q07889 1/20 0.44
▸ JAK1 P23458 1/20 0.43
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CCNT1 O60563 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ LIPC P11150 1/20 0.41
▸ LIPG Q9Y5X9 1/20 0.41
▸ HTR6 P50406 1/20 0.41

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
SCHEMBL23580367 1.00 NAMPT (0.47) NAMPTCNR1GRM1GRM5SMARCA2
SCHEMBL30178579 0.85 CNR1 (0.51) NAMPTCNR1GRM1GRM5PDK4
SCHEMBL22777343 0.82 PDK4 (0.52) NAMPTCNR1GRM1GRM5SMARCA2
SCHEMBL31548741 0.81 SMARCA2 (0.62) NAMPTGRM1GRM5SMARCA2SMARCA4
SCHEMBL30178559 0.81 LNPEP (0.40) GRM5
SCHEMBL31692148 0.80 CDK9 (0.51) NAMPTCNR1GRM1GRM5SOS1
SCHEMBL23581053 0.79 SMARCA2 (0.51) NAMPTSMARCA2SMARCA4PBRM1JAK1
SCHEMBL23580352 0.78 GRM1 (0.46) NAMPTCNR1GRM1GRM5SMARCA2
SCHEMBL30340768 0.78 GRM1 (0.46) NAMPTCNR1GRM1GRM5SMARCA2
SCHEMBL30796663 0.78 SMARCA2 (0.57) NAMPTGRM1GRM5SMARCA2SMARCA4

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
WO-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 — — WO disclosed
WO-2023278402-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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