SCHEMBL4695246

SCHEMBL4695246

Cc1cc(-n2cnc3cc(Cl)c(N[C@@H](CO)c4ccc(F)cc4)nc32)n[nH]1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.51
JAK2 O60674 1/20 0.48
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
CDK2 P24941 1/20 0.40
KCNH2 Q12809 1/20 0.38
NUAK1 O60285 1/20 0.38
ALK Q9UM73 1/20 0.36

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
SCHEMBL4697302 0.86 NTRK1 (0.55) NTRK1NUAK1
SCHEMBL4696829 0.84 NTRK1 (0.64) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL4697331 0.84 NTRK1 (0.67) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL4695227 0.78 CCNT1 (0.47) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL3702483 0.75 NTRK1 (0.58) NTRK1JAK2ALK
SCHEMBL4696211 0.74 NTRK1 (0.61) NTRK1JAK2NUAK1
SCHEMBL2568696 0.74 NTRK1 (0.52) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL3124443 0.73 NTRK1 (0.51) NTRK1JAK2KCNH2NUAK1
SCHEMBL3124459 0.73 NTRK1 (0.51) NTRK1JAK2KCNH2NUAK1
SCHEMBL4618549 0.72 NTRK1 (0.67) NTRK1JAK2CCNT1CDK9

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