SCHEMBL13874409

SCHEMBL13874409

NCCNc1ncnc2ccc(Br)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 9/20 0.73
LMNA P02545 6/20 0.73
MAPT P10636 2/20 0.73
CCNC P24863 1/20 0.73
CDK8 P49336 1/20 0.73
CYP1A2 P05177 3/20 0.71
CYP2D6 P10635 3/20 0.71
ALDH1A1 P00352 4/20 0.62
HPGD P15428 3/20 0.62
KDM4E B2RXH2 3/20 0.62
NCOA1 Q15788 2/20 0.62
NCOA3 Q9Y6Q9 2/20 0.62
MTOR P42345 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
RXFP1 Q9HBX9 2/20 0.59
MAPK1 P28482 2/20 0.56
TSHR P16473 1/20 0.56
NOD2 Q9HC29 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51

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
SCHEMBL5076850 0.84 LMNA (1.00) HTTLMNAMAPTCCNCCDK8
SCHEMBL4359487 0.84 HTT (1.00) HTTLMNAMAPTCCNCCDK8
SCHEMBL4359385 0.82 HTT (0.83) HTTLMNAMAPTCCNCCDK8
SCHEMBL13283258 0.82 LMNA (0.83) HTTLMNAMAPTCCNCCDK8
SCHEMBL4366081 0.81 HTT (0.72) HTTLMNAMAPTCCNCCDK8
SCHEMBL13621680 0.81 HTT (0.72) HTTLMNAMAPTCCNCCDK8
SCHEMBL13283263 0.81 HTT (0.72) HTTLMNAMAPTCCNCCDK8
SCHEMBL15056713 0.81 HTT (0.81) HTTLMNAMAPTCCNCCDK8
SCHEMBL13621683 0.80 RXFP1 (0.79) HTTLMNAMAPTCCNCCDK8
SCHEMBL13283269 0.80 HTT (0.76) HTTLMNAMAPTCCNCCDK8

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-2048142-A2 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof Eisai R&D Management Co., Ltd. (JP) 2009-04-15 EP disclosed