SCHEMBL28054082

SCHEMBL28054082

NC(=O)c1cc(F)c(Br)c2c1[nH]c1cc(C(=O)O)ccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.53
BTK Q06187 11/20 0.46
TYK2 P29597 3/20 0.43
AURKA O14965 1/20 0.43
LCK P06239 1/20 0.43
LYN P07948 1/20 0.43
KIT P10721 1/20 0.43
CDK2 P24941 1/20 0.43
TEC P42680 1/20 0.43
TXK P42681 1/20 0.43
BMX P51813 1/20 0.43
ITK Q08881 1/20 0.43
DYRK1A Q13627 1/20 0.41
JAK1 P23458 2/20 0.40
JAK3 P52333 2/20 0.40
PARP1 P09874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28054159 0.85 JAK2 (0.47) JAK2BTKTYK2AURKALCK
SCHEMBL28054171 0.85 JAK2 (0.47) JAK2BTKTYK2DYRK1AJAK1
SCHEMBL16320530 0.83 BTK (0.43) JAK2BTKTYK2AURKALCK
SCHEMBL19279114 0.82 BTK (0.54) BTK
SCHEMBL19279115 0.82 BTK (0.54) BTK
SCHEMBL123552 0.81 JAK2 (0.45) JAK2BTKTYK2AURKALCK
SCHEMBL18976381 0.81 BTK (0.43) JAK2BTKJAK3
SCHEMBL18975844 0.81 EIF4A3 (0.46) JAK2BTKTYK2AURKALCK
SCHEMBL16320240 0.80 BTK (0.57) JAK2BTK
SCHEMBL16320377 0.80 BTK (0.54) JAK2BTK

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-105358546-A Substituted tetrahydrocarbazole and carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2016-02-24 CN disclosed