SCHEMBL4393640

SCHEMBL4393640

CCNC(=O)c1ccc2n1CCN(CC(=O)c1cc3ncc(Br)cn3n1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
POLB P06746 9/20 0.46
TDP1 Q9NUW8 9/20 0.46
KDM4E B2RXH2 6/20 0.46
ESR2 Q92731 5/20 0.46
RAB9A P51151 3/20 0.46
NR4A1 P22736 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 4/20 0.44
APOBEC3A P31941 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.41

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
SCHEMBL928015 0.86 ALDH1A1 (0.53) RECQLPOLBTDP1KDM4EESR2
SCHEMBL929668 0.80 ALDH1A1 (0.51) RECQLPOLBTDP1KDM4EESR2
SCHEMBL927955 0.77 TDP1 (0.46) RECQLPOLBTDP1KDM4EESR2
SCHEMBL929441 0.76 ALDH1A1 (0.55) RECQLPOLBTDP1ESR2KMT2A
SCHEMBL929875 0.75 GRM5 (0.46) RECQLPOLBTDP1KDM4EESR2
SCHEMBL929667 0.74 ALDH1A1 (0.55) RECQLPOLBTDP1ESR2KMT2A
SCHEMBL928585 0.73 ALDH1A1 (0.53) RECQLPOLBTDP1KDM4EESR2
SCHEMBL3816843 0.71 NR1H2 (0.36) POLBTDP1KDM4EESR2RAB9A
SCHEMBL929943 0.70 RECQL (0.48) RECQLPOLBTDP1KDM4EESR2
SCHEMBL929538 0.70 GRM5 (0.44) RECQLPOLBTDP1KDM4EESR2

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
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 EP disclosed