SCHEMBL26047166

SCHEMBL26047166

Cc1ccnc(N2CCO[C@@H](CN)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.44
CHEK2 O96017 8/20 0.44
PTPN11 Q06124 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
SORD Q00796 1/20 0.39
PDE8B O95263 1/20 0.38

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
SCHEMBL26051217 1.00 CHEK1 (0.44) CHEK1CHEK2PTPN11MEN1KMT2A
SCHEMBL22119364 0.81 ACACB (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL22119365 0.81 ACACB (0.43) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL26051214 0.77 DKK1 (0.48) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL26051213 0.75 PDE8B (0.55) PTPN11MEN1KMT2AKDM4EALDH1A1
SCHEMBL26047168 0.75 PDE8B (0.55) PTPN11MEN1KMT2AKDM4EALDH1A1
SCHEMBL13033008 0.74 KMT2A (0.56) KMT2AKDM4EALDH1A1TSHRHSD17B10
SCHEMBL20064225 0.70 HCRTR2 (0.45) KDM4EALDH1A1TSHRHSD17B10GPBAR1
SCHEMBL25369355 0.70 PAK4 (0.60)
SCHEMBL25370653 0.70 PAK4 (0.60)

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-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed