SCHEMBL17144396

SCHEMBL17144396

O=C(O)NC1CCCC(n2cnc3c(NCc4ccccc4)nc(Nc4ccc(N5CCOCC5)cc4)nc32)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.58
STAT6 P42226 3/20 0.53
CDK1 P06493 3/20 0.49
CCNB2 O95067 1/20 0.49
CCNE2 O96020 1/20 0.49
CDK4 P11802 1/20 0.49
CCNB1 P14635 1/20 0.49
CCND1 P24385 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
PDGFRA P16234 4/20 0.49
SCTR P47872 1/20 0.49
PLK4 O00444 1/20 0.46

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
SCHEMBL17143921 0.93 FLT3 (0.55) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17150841 0.93 FLT3 (0.55) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144357 0.83 FLT3 (0.57) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144359 0.83 FLT3 (0.57) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144385 0.83 FLT3 (0.62) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144384 0.83 FLT3 (0.62) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144607 0.83 FLT3 (0.56) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144606 0.83 FLT3 (0.56) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17150842 0.83 FLT3 (0.56) FLT3STAT6CDK1CCNB2CCNE2
SCHEMBL17144400 0.81 FLT3 (0.54) FLT3STAT6CDK1CCNB2CCNE2

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
WO-2015151006-A1 SUBSTITUTED PURINE COMPOUNDS AS BTK INHIBITORS LUPIN LIMITED (IN) 2015-10-08 WO disclosed