SCHEMBL4697331

SCHEMBL4697331

Cc1cc(-n2cnc3cnc(N[C@@H](CO)c4ccc(F)cc4)nc32)n[nH]1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.67
JAK2 O60674 1/20 0.52
CCNT1 O60563 3/20 0.43
CDK9 P50750 3/20 0.43
CDK2 P24941 1/20 0.43
KCNH2 Q12809 1/20 0.41

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
SCHEMBL4696829 0.87 NTRK1 (0.64) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL3705689 0.85 NTRK1 (0.68) NTRK1
SCHEMBL27709595 0.85 NTRK1 (0.68) NTRK1
SCHEMBL4695246 0.84 NTRK1 (0.51) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL3772190 0.80 NTRK1 (1.00) NTRK1JAK2
SCHEMBL4695227 0.80 CCNT1 (0.47) NTRK1JAK2CCNT1CDK9CDK2
SCHEMBL3698238 0.75 NTRK1 (0.61) NTRK1JAK2
SCHEMBL27689864 0.75 NTRK1 (0.61) NTRK1JAK2
SCHEMBL4696821 0.74 NTRK1 (0.81) NTRK1JAK2
SCHEMBL4696858 0.74 NTRK1 (0.81) NTRK1JAK2

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