SCHEMBL4070052

SCHEMBL4070052

OCC(Nc1ncc(Br)c(Nc2cc(C3CC3)n[nH]2)n1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.59
IGF1R P08069 8/20 0.48
JAK2 O60674 1/20 0.44

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
SCHEMBL4071051 1.00 NTRK1 (0.59) NTRK1IGF1RJAK2
SCHEMBL4068878 1.00 NTRK1 (0.59) NTRK1IGF1RJAK2
SCHEMBL29794659 0.91 NTRK1 (0.71) NTRK1IGF1R
SCHEMBL4074207 0.91 NTRK1 (0.71) NTRK1IGF1R
SCHEMBL4240841 0.91 NTRK1 (0.71) NTRK1IGF1R
SCHEMBL4240838 0.91 NTRK1 (0.71) NTRK1IGF1R
SCHEMBL4076088 0.90 NTRK1 (0.73) NTRK1IGF1RJAK2
SCHEMBL3341202 0.90 NTRK1 (0.73) NTRK1IGF1RJAK2
SCHEMBL29794640 0.90 NTRK1 (0.73) NTRK1IGF1RJAK2
SCHEMBL27674715 0.90 NTRK1 (0.73) NTRK1IGF1RJAK2

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-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 CN disclosed