SCHEMBL4698219

SCHEMBL4698219

Fc1ccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.59
CDK9 P50750 4/20 0.42
CCNT1 O60563 4/20 0.42
NUAK1 O60285 1/20 0.41
JAK2 O60674 1/20 0.40
IGF1R P08069 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
CACNA1H O95180 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL4696455 0.90 NTRK1 (0.64) NTRK1CDK9CCNT1NUAK1JAK2
SCHEMBL56866 0.84 NTRK1 (0.52) NTRK1CDK9CCNT1DYRK1ACLK4
SCHEMBL4694146 0.84 NTRK1 (0.53) NTRK1CCNT1IGF1RPIM1
SCHEMBL4698140 0.77 NTRK1 (0.66) NTRK1NUAK1IGF1RCLK4
SCHEMBL4694035 0.77 NTRK1 (0.54) NTRK1JAK2IGF1RPIM1
SCHEMBL4693854 0.75 NTRK1 (0.59) NTRK1NUAK1JAK2
SCHEMBL56800 0.75 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4750903 0.75 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4695215 0.75 NUAK1 (0.61) NTRK1NUAK1IGF1R
SCHEMBL4697091 0.75 NTRK1 (0.65) NTRK1NUAK1JAK2

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
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed