SCHEMBL4005553

SCHEMBL4005553

C[C@H](Oc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.64
JAK2 O60674 3/20 0.57
JAK3 P52333 2/20 0.57
IGF1R P08069 1/20 0.52
NUAK1 O60285 1/20 0.50

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
SCHEMBL4005550 1.00 NTRK1 (0.64) NTRK1JAK2JAK3IGF1RNUAK1
SCHEMBL4438437 0.85 JAK2 (0.76) NTRK1JAK2JAK3IGF1R
SCHEMBL4007328 0.85 JAK2 (0.76) NTRK1JAK2JAK3IGF1R
SCHEMBL4160441 0.82 NTRK1 (0.82) NTRK1JAK2JAK3IGF1R
SCHEMBL4073830 0.79 NTRK1 (0.79) NTRK1IGF1R
SCHEMBL5029662 0.78 NTRK1 (1.00) NTRK1JAK2JAK3NUAK1
SCHEMBL4147228 0.77 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL4144068 0.77 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL3344106 0.77 NTRK1 (0.75) NTRK1JAK2IGF1R
SCHEMBL3341087 0.77 NTRK1 (0.75) NTRK1JAK2IGF1R

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
WO-2009007753-A2 4- (3-AMINOPYRAZOLE) -PYRIMIDINE DERIVATIVEE AND THEIR USE AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2009-01-15 WO disclosed