SCHEMBL17595071

SCHEMBL17595071

NC(=O)CCCC(c1cccnc1)c1cc2c[nH]nc2cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.44
EPHX2 P34913 2/20 0.35
PDE4D Q08499 2/20 0.35
LMNA P02545 1/20 0.34
TBXA2R P21731 1/20 0.34
GRM8 O00222 1/20 0.34
GRM4 Q14833 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA2B P08514 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL17597642 0.89 PDE4D (0.38) TBXAS1PDE4DLMNAGRM8GRM4
SCHEMBL17592613 0.81 SYK (0.36) PDE4DLMNAALDH1A1HTT
SCHEMBL17592179 0.80 PIM1 (0.46) TBXAS1EPHX2TBXA2RGRM8GRM4
SCHEMBL17596793 0.80 GAA (0.34) TBXAS1PDE4DLMNAITGB3ITGAV
SCHEMBL17595100 0.80 SYK (0.33) PDE4DLMNA
SCHEMBL17592271 0.78 SLC6A2 (0.35)
SCHEMBL17099592 0.75 MEN1 (0.35) LMNAALDH1A1
SCHEMBL17591702 0.72 TBXAS1 (0.48) TBXAS1EPHX2LMNATBXA2RGRM8
SCHEMBL17596760 0.71 TBXAS1 (0.60) TBXAS1EPHX2PDE4DLMNAGRM8
SCHEMBL17593977 0.70 TBXAS1 (0.48) TBXAS1EPHX2PDE4DTBXA2R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016040188-A1 3-(3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed
WO-2016040180-A1 3-(1H-BENZO[D]IMIDAZOL-2-YL)-1H-PYRAZOLO[3,4-C]PYRIDINE AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2016-03-17 WO claimed