SCHEMBL30797258

SCHEMBL30797258

C[C@@H]1CNC(=O)N1c1cnccn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.40
CDK2 P24941 2/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40
CCND3 P30281 1/20 0.40
CDK6 Q00534 1/20 0.40
KDM4E B2RXH2 3/20 0.38
GRM1 Q13255 1/20 0.37
P4HTM Q9NXG6 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
P2RX7 Q99572 3/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 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
SCHEMBL15553459 0.77 SMN1; SMN2 (0.46) CCNA2CDK2CDK4CCND1CCNE1
SCHEMBL18766803 0.75 KDM4E (0.40) CCNA2CDK2KDM4EGRM1GPR119
SCHEMBL30797099 0.74 NPC1 (0.45) CCNA2CDK2CDK4CCND1CCNE1
SCHEMBL22772522 0.72 KDM4E (0.38) CCNA2CDK2KDM4EGRM1GPR119
SCHEMBL30797241 0.72 CDK4 (0.35) CCNA2CDK2CDK4CCND1CCNE1
SCHEMBL22772544 0.70 KDM4E (0.35) CCNA2CDK2KDM4EGRM1P4HTM
SCHEMBL20956364 0.70 CDK4 (0.47) CCNA2CDK2CDK4CCND1CCNE1
SCHEMBL14171815 0.68 KDM4E (0.38) KDM4EGRM1GPR119RXFP1OPRM1
SCHEMBL30797129 0.68 ELANE (0.44) CCNA2CDK2CDK4CCND1CCNE1
SCHEMBL6648422 0.68 LATS1 (0.45) TP53

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