SCHEMBL28953770

SCHEMBL28953770

CC(=O)N[C@@H]1CCCN(c2ccc(NC=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)C1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.76
JAK2 O60674 2/20 0.44
LCK P06239 2/20 0.44
LYN P07948 2/20 0.44
KIT P10721 2/20 0.44
CDK2 P24941 2/20 0.44
TEC P42680 2/20 0.44
TXK P42681 2/20 0.44
BMX P51813 2/20 0.44
ITK Q08881 2/20 0.44
AURKA O14965 1/20 0.41
TYK2 P29597 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
SCHEMBL151010 0.86 BTK (1.00) BTKJAK2LCKLYNKIT
SCHEMBL123628 0.86 BTK (1.00) BTKJAK2LCKLYNKIT
SCHEMBL150448 0.81 BTK (0.68) BTKJAK2LCKLYNKIT
SCHEMBL148716 0.80 BTK (0.88) BTKJAK2LCKLYNKIT
SCHEMBL27982076 0.78 BTK (0.83) BTKJAK2LCKLYNKIT
SCHEMBL123138 0.74 BTK (0.77) BTKJAK2LCKLYNKIT
SCHEMBL148551 0.74 BTK (0.78) BTKJAK2LCKLYNKIT
SCHEMBL122327 0.74 BTK (0.78) BTKJAK2LCKLYNKIT
SCHEMBL145050 0.73 BTK (0.75) BTKJAK2LCKLYNKIT
SCHEMBL123856 0.73 BTK (0.75) BTKJAK2LCKLYNKIT

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-107074804-A Carbazole derivates 百时美施贵宝公司 2017-08-18 CN disclosed