SCHEMBL10514765

SCHEMBL10514765

Cc1nc2ccc(-c3cc(C#N)c(=O)[nH]c3C)cn2c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.61
PDE4A P27815 2/20 0.61
HPGD P15428 3/20 0.60
BLM P54132 2/20 0.60
CYP3A4 P08684 1/20 0.60
NFKB1 P19838 1/20 0.60
PMP22 Q01453 1/20 0.60
HSD17B10 Q99714 1/20 0.60
PDE3B Q13370 5/20 0.54
KDM4E B2RXH2 3/20 0.54
PDE5A O76074 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
PTGS1 P23219 1/20 0.54
CYP2C19 P33261 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
GAA P10253 2/20 0.53
GALR3 O60755 1/20 0.53

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
SCHEMBL10512372 0.90 PDE3A (0.60) PDE3APDE4AHPGDBLMCYP3A4
Bromide SCHEMBL10512780 0.89 PDE3A (0.59) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10569439 0.84 PDE3A (0.50) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10512967 0.83 PDE3A (0.63) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL9460929 0.81 PDE3A (0.70) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL13111965 0.81 PDE3A (0.65) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10513746 0.79 PDE3A (0.63) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10513010 0.79 PDE3A (0.63) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10513204 0.78 PDE3A (0.47) PDE3APDE4AHPGDBLMCYP3A4
Bromide SCHEMBL10690675 0.78 PDE3A (0.62) PDE3APDE4AHPGDBLMCYP3A4

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-0199127-B1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1989-12-13 EP disclosed