SCHEMBL3418893

SCHEMBL3418893

O=[N+]([O-])c1cnc(NC(CO)c2ccc(F)cc2)c(Nc2cc(C3CC3)[nH]n2)c1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.61
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
IGF1R P08069 2/20 0.41

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
SCHEMBL3418891 1.00 NTRK1 (0.61) NTRK1JAK2JAK3IGF1R
SCHEMBL57129 0.85 NTRK1 (0.58) NTRK1JAK2JAK3IGF1R
SCHEMBL57130 0.85 NTRK1 (0.58) NTRK1JAK2JAK3IGF1R
SCHEMBL3126553 0.83 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL4299264 0.83 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL27872716 0.83 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL3425036 0.83 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL4072757 0.82 NTRK1 (0.74) NTRK1IGF1R
SCHEMBL4696527 0.82 NTRK1 (0.57) NTRK1JAK2JAK3IGF1R
SCHEMBL4696529 0.82 NTRK1 (0.57) NTRK1JAK2JAK3IGF1R

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
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