SCHEMBL30797241

SCHEMBL30797241

C[C@@H]1CNC(=O)N1c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.35
CCNA2 P20248 1/20 0.35
CCND1 P24385 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCND3 P30281 1/20 0.35
CDK6 Q00534 1/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM1 Q13255 1/20 0.32
SLC6A7 Q99884 3/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
MAP4K1 Q92918 1/20 0.31
GSK3B P49841 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX7 Q99572 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
SCHEMBL15553459 0.79 SMN1; SMN2 (0.46) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL2234874 0.73 GAA (0.44) ALDH1A1KMT2AMEN1GSK3BNPC1
SCHEMBL30797258 0.72 CCNA2 (0.40) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL30797099 0.69 NPC1 (0.45) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL30797129 0.69 ELANE (0.44) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL6855304 0.68 HTR2A (0.42) ALDH1A1KDM4E
SCHEMBL6855299 0.68 HTR2A (0.42) ALDH1A1KDM4E
SCHEMBL8305787 0.68 GAA (0.46) CDK4CCNA2CCND1CCNE1CDK2
SCHEMBL16701852 0.67 DDB1 (0.39) CDK4CCNA2CCND1CCNE1CDK2
Hydrochloric Acid SCHEMBL2896840 0.67 KDM4E (0.42) ALDH1A1KDM4E

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-2023244817-A1 SUBSTITUTED PIPERIDINES AS CK1A DEGRADERS MONTE ROSA THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed