SCHEMBL20120005

SCHEMBL20120005

Oc1ncccc1-c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.47
DYRK3 O43781 2/20 0.47
CCNT1 O60563 2/20 0.47
CDK9 P50750 2/20 0.47
DYRK2 Q92630 2/20 0.47
DYRK1B Q9Y463 2/20 0.47
AAK1 Q2M2I8 4/20 0.42
PIM1 P11309 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FYN P06241 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.38
JAK2 O60674 1/20 0.37
NTRK1 P04629 1/20 0.37
INSR P06213 1/20 0.37
LYN P07948 1/20 0.37

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
SCHEMBL20119953 0.83 AAK1 (0.59) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL15254438 0.80 AAK1 (0.48) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL15254978 0.80 AAK1 (0.52) AAK1RET
SCHEMBL15254435 0.79 AAK1 (0.49) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL19494399 0.78 DYRK3 (0.61) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL15258059 0.76 AAK1 (0.62) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL20120004 0.76 AAK1 (0.56) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL19466750 0.76 AAK1 (0.62) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL19467077 0.74 AAK1 (0.57) DYRK1ADYRK3CCNT1CDK9DYRK2
SCHEMBL19466875 0.74 AAK1 (0.60) DYRK1ADYRK3CCNT1CDK9DYRK2

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