SCHEMBL31238245

SCHEMBL31238245

Cc1ccnc2[nH]c(-c3ccccc3)cc(=O)c12

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.58
ADORA1 P30542 2/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPSR1 Q6W5P4 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50

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
SCHEMBL7921843 0.88 CCNB2 (0.55) ALDH1A1LMNAKMT2ASMN1; SMN2CCNB2
SCHEMBL7920133 0.87
SCHEMBL7913622 0.86 ADORA2A (0.54) ADORA2AADORA1KMT2ASMN1; SMN2CCNB2
SCHEMBL7920478 0.86 CCNB2 (0.52) CCNB2CDK1CCNB1CCNB3
SCHEMBL7920058 0.85
SCHEMBL7913615 0.85
SCHEMBL16210531 0.85 CCNB2 (0.56) CCNB2CDK1CCNB1CCNB3
SCHEMBL7925247 0.84 KDM5A (0.47)
SCHEMBL7920143 0.83 CCNB2 (0.57) ALDH1A1LMNASMN1; SMN2CCNB2CDK1
SCHEMBL7913596 0.83 CCNB2 (0.60) CCNB2CDK1CCNB1GSK3AGSK3B

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-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed