SCHEMBL27761968

SCHEMBL27761968

COc1ccc(Cn2nc(C3=CCN(C(=O)O)CC3)c3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.39
CDK9 P50750 11/20 0.39
KCNK3 O14649 1/20 0.35
AXL P30530 2/20 0.34
BTK Q06187 1/20 0.34
FGFR4 P22455 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3113957 0.91 GRM5 (0.40) CCNT1CDK9BTK
SCHEMBL1947642 0.81 PIK3CD (0.39) AXLMET
SCHEMBL1944325 0.81 MET (0.34) AXLMETHTTSMN1; SMN2NPSR1
SCHEMBL3112956 0.80 SMN1; SMN2 (0.44) CDK9KCNK3AXLMEN1KMT2A
SCHEMBL3104428 0.79 CYP1A2 (0.39) AXLBTK
SCHEMBL28780214 0.78 BTK (0.42) AXLBTKMETMEN1HTT
SCHEMBL3103567 0.78 JAK1 (0.37) AXLBTKMETSMN1; SMN2
SCHEMBL1944519 0.78 AXL (0.38) AXLBTKMET
SCHEMBL3108799 0.78 AXL (0.36) AXLBTKMETKDRMEN1
SCHEMBL3103511 0.77 AXL (0.40) AXLMETKDR

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
CN-101437820-A Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-05-20 CN disclosed