SCHEMBL30599747

SCHEMBL30599747

CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cncc(F)c2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
KIF18A Q8NI77 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4D Q6B0I6 1/20 0.37
HSD11B1 P28845 1/20 0.37
DDR1 Q08345 2/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
SPR P35270 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
JAK3 P52333 3/20 0.34
BTK Q06187 2/20 0.34
LCK P06239 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
KAT8 Q9H7Z6 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL25269102 1.00 RET (0.40) RETAAK1KIF18APDE10AKDM4D
SCHEMBL30599741 0.85 RET (0.48) RETAAK1KIF18APDE10AKDM4D
SCHEMBL29418549 0.85 RET (0.48) RETAAK1KIF18APDE10AKDM4D
SCHEMBL29418386 0.83 KDM4D (0.43) RETAAK1KIF18APDE10AKDM4D
SCHEMBL30599716 0.83 KDM4D (0.43) RETAAK1KIF18APDE10AKDM4D
SCHEMBL29418780 0.83 KDM4D (0.43) RETAAK1KIF18APDE10AKDM4D
SCHEMBL29418791 0.80 KDM4D (0.43) RETAAK1KIF18APDE10AKDM4D
SCHEMBL38665924 0.80 RET (0.46) RETAAK1KIF18APDE10AKDM4D
SCHEMBL38666676 0.80 RET (0.46) RETAAK1KIF18APDE10AKDM4D
SCHEMBL29418476 0.80 RET (0.42) RETAAK1KIF18APDE10AKDM4D

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-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 CN disclosed