SCHEMBL31421925

SCHEMBL31421925

Nc1nc(N)c(N=Nc2ccc([N+](=O)[O-])cc2)c(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.62
CDK2 P24941 3/20 0.62
CCNE2 O96020 2/20 0.62
KMT2A Q03164 5/20 0.56
MAPT P10636 4/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 2/20 0.56
ATM Q13315 1/20 0.56
MEN1 O00255 4/20 0.50
NPC1 O15118 2/20 0.50
HSP90AA1 P07900 2/20 0.50
RAB9A P51151 2/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
RECQL P46063 1/20 0.50
AGTR1 P30556 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL29714706 0.82 CCNE2 (0.66) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL26852108 0.79 CCNE1 (0.50) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL3282773 0.78 MEN1 (0.61) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL3282776 0.78 MEN1 (0.61) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL3837884 0.77 CCNE1 (1.00) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL15922 0.77 ALDH1A1 (0.75) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL15923 0.77 ALDH1A1 (0.75) CCNE1CDK2CCNE2KMT2AMAPT
Hydrochloric Acid SCHEMBL30872195 0.75 ALDH1A1 (0.72) CCNE1CDK2CCNE2KMT2AMAPT
SCHEMBL11121897 0.74 POLB (0.60) CCNE1CDK2KMT2AMAPTTDP1
SCHEMBL11121903 0.74 POLB (0.60) CCNE1CDK2KMT2AMAPTTDP1

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
CN-119630672-A Camptothecin derivative and conjugate thereof, and preparation method and medical application thereof 一线医药(杭州)有限公司 2025-03-14 CN disclosed