SCHEMBL21296522

SCHEMBL21296522

CCCCN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
LPL P06858 5/20 0.50
LIPG Q9Y5X9 5/20 0.50
DRD2 P14416 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.42
HSD17B10 Q99714 1/20 0.41
PLA2G2A P14555 3/20 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
SCHEMBL14852301 0.95 KDM4E (0.59) KDM4EGAALPLLIPGKCNH2
SCHEMBL14852465 0.92 DRD2 (0.54) KDM4EGAALPLLIPGDRD2
SCHEMBL586677 0.86 GAA (0.53) KDM4EGAALPLLIPGSIGMAR1
SCHEMBL19297520 0.86 HSD17B10 (0.44) KDM4EGAALPLLIPGDRD2
SCHEMBL586151 0.85 LPL (0.41) KDM4EGAALPLLIPGDRD2
SCHEMBL30123801 0.85 DRD2 (0.54) LPLLIPGDRD2SIGMAR1DRD3
SCHEMBL15565882 0.84 LPL (0.41) KDM4EGAALPLLIPGDRD2
SCHEMBL19211745 0.84 LPL (0.57) GAALPLLIPGSIGMAR1PLA2G2A
SCHEMBL24504183 0.82 DRD2 (0.47) KDM4EGAALPLLIPGDRD2
SCHEMBL19465603 0.82 LPL (0.43) KDM4EGAALPLLIPG

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-3755698-A1 DEGRADERS OF EGFR AND METHODS OF USE THEREOF Dana-Farber Cancer Institute, Inc. (US) 2020-12-30 EP disclosed
WO-2019164932-A1 DEGRADERS OF EGFR AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-08-29 WO disclosed