SCHEMBL26604138

SCHEMBL26604138

OCCN1CCN(c2cc(Cl)nc(NC34CCC(CC3)CC4)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KHK P50053 2/20 0.34
SRC P12931 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL26604121 0.77 HRH4 (0.51) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL26604064 0.76 HRH4 (0.42) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL30605629 0.76 HRH4 (0.42) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL30605601 0.75 HRH4 (0.51) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL30605623 0.75 HRH4 (0.46) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL30605596 0.74 KMT2A (0.43) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL26604093 0.74 ALDH1A1 (0.45) LMNAKDM4EALDH1A1HRH4MEN1
SCHEMBL26604132 0.74 HRH4 (0.41) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL26604127 0.74 HRH4 (0.41) RAF1BRAFLMNAKDM4EALDH1A1
SCHEMBL26604109 0.73 HRH4 (0.47) RETIGF1RHRH4KHK

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
WO-2023204642-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2023-10-26 WO disclosed