SCHEMBL26656303

SCHEMBL26656303

CCCNc1nc(N(C)NC)c2ccn(C)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BCDIN3D Q7Z5W3 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CDK1 P06493 2/20 0.33
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
RAD52 P43351 1/20 0.32
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9106683 0.88 APP (0.36) APPBCHEACHEBCDIN3DKMT2A
SCHEMBL9235181 0.86 BCDIN3D (0.37) APPBCHEACHEBCDIN3DKMT2A
SCHEMBL9103257 0.86 APP (0.35) APPBCHEACHEBCDIN3DKMT2A
Hydrochloric Acid SCHEMBL9235340 0.85 BCDIN3D (0.36) APPBCHEACHEBCDIN3DKMT2A
SCHEMBL9235868 0.84 CYP1A2 (0.35) APPBCHEACHEBCDIN3DKMT2A
Hydrochloric Acid SCHEMBL13837724 0.82 CYP1A2 (0.34) APPBCHEACHEBCDIN3DKMT2A
SCHEMBL9102572 0.79 APP (0.43) APPBCHEACHEBCDIN3DKMT2A
SCHEMBL9104836 0.78 APP (0.48) APPBCHEACHEBCDIN3DKMT2A
SCHEMBL9912559 0.78 MEN1 (0.40) APPBCHEACHEKMT2AMEN1
SCHEMBL9238122 0.78 APP (0.40) APPBCHEACHEBCDIN3DKMT2A

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-2023225177-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS TO TREAT RESPIRATORY DEPRESSION IN PATIENTS ENALARE THERAPEUTICS INC. (US) 2023-11-23 WO disclosed