SCHEMBL29863032

SCHEMBL29863032

Clc1ccc2cc(N[C@@H]3CCNC3)cnc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
PLK4 O00444 2/20 0.39
NRAS P01111 1/20 0.39
FLT3 P36888 1/20 0.39
IRAK1 P51617 1/20 0.39
BPTF Q12830 2/20 0.38
BRD4 O60885 2/20 0.38
ATAD2 Q6PL18 2/20 0.38
IDH2 P48735 1/20 0.38
CCNT1 O60563 2/20 0.37
CCNK O75909 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CDK9 P50750 2/20 0.37
CDK12 Q9NYV4 2/20 0.37
AXL P30530 3/20 0.37
ITK Q08881 1/20 0.37
PAK4 O96013 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
SCHEMBL29863507 1.00 MET (0.39) METIRAK4PLK4NRASFLT3
Hydrochloric Acid SCHEMBL23360289 0.99 MET (0.38) METIRAK4PLK4NRASFLT3
Hydrochloric Acid SCHEMBL23360288 0.99 MET (0.38) METIRAK4PLK4NRASFLT3
Hydrochloric Acid SCHEMBL23360473 0.99 MET (0.38) METIRAK4PLK4NRASFLT3
Hydrochloric Acid SCHEMBL23359890 0.92 IKBKB (0.39) METIRAK4PLK4FLT3IRAK1
Hydrochloric Acid SCHEMBL23360060 0.81 CCNT1 (0.40) METIRAK4PLK4BRD4ATAD2
Hydrochloric Acid SCHEMBL29862951 0.81 CCNT1 (0.40) METIRAK4PLK4BRD4ATAD2
Hydrochloric Acid SCHEMBL23360062 0.81 CCNT1 (0.40) METIRAK4PLK4BRD4ATAD2
Hydrochloric Acid SCHEMBL23360559 0.81 CCNT1 (0.40) METIRAK4PLK4BRD4ATAD2
Hydrochloric Acid SCHEMBL29862981 0.81 CCNT1 (0.40) METIRAK4PLK4BRD4ATAD2

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-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed