SCHEMBL3392697

SCHEMBL3392697

CC(C)Nc1ncccc1C#N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.69
ALDH1A1 P00352 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.64
KDM4E B2RXH2 3/20 0.64
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
POLB P06746 2/20 0.59
L3MBTL1 Q9Y468 4/20 0.58
GAA P10253 2/20 0.58
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP3A4 P08684 1/20 0.51
CASP3 P42574 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL18934514 0.82 HPGD (0.49) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL1253969 0.81 ALDH1A1 (0.63) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL31324770 0.81 ALDH1A1 (0.63) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL31023872 0.79 ALDH1A1 (0.57) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL3390876 0.79 ALDH1A1 (0.57) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL8918710 0.79 HPGD (0.64) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL11169276 0.78 HPGD (0.56) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL15094828 0.78 HPGD (0.58) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL11177782 0.76 HPGD (0.60) HPGDALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL13408302 0.76 HPGD (0.53) HPGDALDH1A1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164490-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. AstraZeneca AB (SE) 2010-03-24 EP claimed
WO-2008054292-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. ASTRAZENECA AB (SE) 2008-05-08 WO claimed
EP-1846394-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS AstraZeneca AB (SE) 2007-10-24 EP claimed
WO-2006082392-A1 PYRAZOLYLAMINOPYRIDINE DERIVATIVES USEFUL AS KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-08-10 WO claimed
WO-2017004609-A1 THIADIAZOLE MODULATORS OF S1P AND METHODS OF MAKING AND USING EXELIXIS, INC. (US) 2017-01-05 WO disclosed
EP-2164490-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. AstraZeneca AB (SE) 2010-03-24 EP disclosed
WO-2008054292-A1 PYRAZOLYL DERIVATIVES WITH ANALGESIC ACTIVITY AND THEREFORE USEFUL IN THE TREATMENT OR PROPHYLAXIS OF PAIN. ASTRAZENECA AB (SE) 2008-05-08 WO disclosed