SCHEMBL30179168

SCHEMBL30179168

C[C@@H]1c2c([nH]c3nnc(-c4ccccc4O)cc23)CCN1C1CCC(N2CCC(CN3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 2/20 0.42
▸ SMARCA4 P51532 2/20 0.42
▸ PBRM1 Q86U86 2/20 0.42
▸ TERT O14746 1/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ KIT P10721 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SUV39H2 Q9H5I1 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ MERTK Q12866 1/20 0.32

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
SCHEMBL30178526 1.00 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1TERTCNR1
SCHEMBL24838428 0.98 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1TERTCNR1
SCHEMBL30178473 0.98 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1TERTCNR1
SCHEMBL24838427 0.98 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1TERTCNR1
SCHEMBL24837893 0.96 SMARCA2 (0.41) SMARCA2SMARCA4PBRM1PARP1KDM4E
SCHEMBL24838422 0.93 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1TERTKIT
SCHEMBL30178717 0.93 SMARCA2 (0.43) SMARCA2SMARCA4PBRM1TERTKIT
SCHEMBL24838421 0.91 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1PARP1KIT
SCHEMBL24837880 0.91 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1PARP1KIT
SCHEMBL24838737 0.91 SMARCA2 (0.46) SMARCA2SMARCA4PBRM1PARP1KIT

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
Send feedback