SCHEMBL4696455

SCHEMBL4696455

Fc1ccc(CNc2ccc3ncn(-c4cc(C5CC5)[nH]n4)c3n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.64
NUAK1 O60285 1/20 0.48
JAK2 O60674 1/20 0.45
PIM1 P11309 1/20 0.45
MAPT P10636 1/20 0.40
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37

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
SCHEMBL4698219 0.90 NTRK1 (0.59) NTRK1NUAK1JAK2PIM1CCNT1
SCHEMBL4698140 0.86 NTRK1 (0.66) NTRK1NUAK1
SCHEMBL4695215 0.84 NUAK1 (0.61) NTRK1NUAK1
SCHEMBL4694146 0.83 NTRK1 (0.53) NTRK1PIM1CCNT1
SCHEMBL4693854 0.82 NTRK1 (0.59) NTRK1NUAK1JAK2
SCHEMBL4750903 0.82 NTRK1 (0.79) NTRK1JAK2
SCHEMBL56800 0.82 NTRK1 (0.79) NTRK1JAK2
SCHEMBL4697091 0.82 NTRK1 (0.65) NTRK1NUAK1JAK2
SCHEMBL4697195 0.81 NTRK1 (0.47) NTRK1NUAK1MAPTCCNT1CDK9
SCHEMBL4694035 0.78 NTRK1 (0.54) NTRK1JAK2PIM1

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