SCHEMBL20119801

SCHEMBL20119801

CCN(C)c1ccc2ncc(Br)n2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 1/20 0.39
MKNK1 Q9BUB5 15/20 0.37
GBA1 P04062 1/20 0.37
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
BRD4 O60885 2/20 0.34

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
SCHEMBL23932000 0.88 HCAR3 (0.41) NTRK1NTRK3NTRK2MKNK1KDM4E
SCHEMBL15254587 0.85 MKNK1 (0.44) NTRK1NTRK3NTRK2MKNK1KDM4E
SCHEMBL30217989 0.83 IKBKB (0.36) NTRK1NTRK3NTRK2MKNK1GBA1
SCHEMBL16371971 0.81 NTRK1 (0.60) NTRK1NTRK3NTRK2MKNK1KDM4E
SCHEMBL15258024 0.81 MKNK1 (0.43) NTRK1NTRK3NTRK2MKNK1GBA1
SCHEMBL16468193 0.77 NTRK1 (0.47) NTRK1NTRK3NTRK2MKNK1GBA1
SCHEMBL16468273 0.76 NTRK1 (0.46) NTRK1NTRK3NTRK2MKNK1KDM4E
SCHEMBL16468487 0.76 NTRK1 (0.46) NTRK1NTRK3NTRK2MKNK1KDM4E
SCHEMBL16468589 0.74 NTRK1 (0.36) NTRK1NTRK3NTRK2MKNK1KDM4E
SCHEMBL23932182 0.74 MKNK1 (0.36) MKNK1

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-2822559-B1 IMIDAZO[1,2-B]PYRIDAZINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND USES THEREOF LEXICON PHARMACEUTICALS INC (US) 2018-05-02 EP disclosed