SCHEMBL20146255

SCHEMBL20146255

CPCc1c(-c2ccc(F)cc2)nc(N(C)C)nc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.41
AKT1 P31749 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE6D O43924 1/20 0.38
NR1I2 O75469 1/20 0.38
HMGCR P04035 1/20 0.38
PDE4D Q08499 1/20 0.38
ABCC3 O15438 1/20 0.37
ABCC4 O15439 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
SCHEMBL10129522 0.85 GCGR (0.57) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10129495 0.84 GCGR (0.43) GCGRAKT1ALDH1A1CYP3A4PDE6D
SCHEMBL20146246 0.84 GCGR (0.43) GCGRAKT1ALDH1A1CYP3A4PDE6D
SCHEMBL10129253 0.81 GCGR (0.45) GCGRAKT1ALDH1A1CYP3A4PDE6D
SCHEMBL10129544 0.79 KDM5B (0.41) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10129494 0.79 GCGR (0.46) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10434301 0.79 GCGR (0.41) GCGRAKT1ALDH1A1CYP3A4PDE6D
SCHEMBL10129501 0.78 HMGCR (0.38) GCGRAKT1ALDH1A1CYP3A4PDE6D
SCHEMBL10129934 0.78 GCGR (0.38) GCGRAKT1ALDH1A1CYP3A4PDE6D
SCHEMBL14045937 0.75 GCGR (0.54) GCGRALDH1A1CYP3A4PDE6DNR1I2

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-2247739-B1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR ITS PRODUCTION EMPLOYING A 2-DEOXYRIBOSE-5-PHOSPHATE ALDOLASE (DERA) LEK PHARMACEUTICALS (SI) 2018-05-16 EP disclosed