SCHEMBL27872716

SCHEMBL27872716

O=[N+]([O-])c1ccc(Nc2cc(C3CC3)[nH]n2)nc1NC(CO)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 0.70
▸ JAK2 O60674 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ IGF1R P08069 1/20 0.42

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
SCHEMBL3425036 1.00 NTRK1 (0.70) NTRK1JAK2JAK3IGF1R
SCHEMBL2567488 0.94 NTRK1 (0.77) NTRK1JAK2JAK3IGF1R
SCHEMBL4694176 0.94 NTRK1 (0.77) NTRK1JAK2JAK3IGF1R
SCHEMBL2573786 0.90 NTRK1 (0.61) NTRK1JAK2JAK3IGF1R
SCHEMBL2573790 0.90 NTRK1 (0.61) NTRK1JAK2JAK3IGF1R
SCHEMBL4299264 0.88 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL3126553 0.88 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL2564629 0.88 NTRK1 (0.68) NTRK1JAK2JAK3IGF1R
SCHEMBL27856018 0.88 NTRK1 (0.68) NTRK1JAK2JAK3IGF1R
SCHEMBL3130155 0.86 NTRK1 (0.88) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101155800-B Pyrazolylaminopyridine derivatives useful as kinase inhibitors ASTRAZENECA AB 2012-05-23 — — CN disclosed
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