SCHEMBL4696829

SCHEMBL4696829

Cc1cc(-n2cnc3ccc(N[C@@H](CO)c4ccc(F)cc4)nc32)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.64
JAK2 O60674 1/20 0.64
KCNH2 Q12809 1/20 0.53
CCNT1 O60563 3/20 0.47
CDK9 P50750 3/20 0.47
CDK2 P24941 1/20 0.47
ALK Q9UM73 5/20 0.45

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
SCHEMBL4697331 0.87 NTRK1 (0.67) NTRK1JAK2KCNH2CCNT1CDK9
SCHEMBL56315 0.87 NTRK1 (0.59) NTRK1JAK2KCNH2CCNT1CDK9
SCHEMBL4697091 0.85 NTRK1 (0.65) NTRK1JAK2KCNH2
SCHEMBL4695246 0.84 NTRK1 (0.51) NTRK1JAK2KCNH2CCNT1CDK9
SCHEMBL4695227 0.82 CCNT1 (0.47) NTRK1JAK2KCNH2CCNT1CDK9
SCHEMBL3775158 0.78 NTRK1 (1.00) NTRK1JAK2ALK
SCHEMBL3773405 0.78 NTRK1 (1.00) NTRK1JAK2ALK
SCHEMBL3766926 0.76 NTRK1 (0.75) NTRK1JAK2KCNH2ALK
SCHEMBL3778126 0.76 NTRK1 (0.75) NTRK1JAK2KCNH2ALK
SCHEMBL3132402 0.74 NTRK1 (0.46) NTRK1JAK2KCNH2CCNT1CDK9

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