SCHEMBL28054171

SCHEMBL28054171

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.47
DYRK1A Q13627 1/20 0.43
BTK Q06187 9/20 0.43
PARP1 P09874 2/20 0.42
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
CSNK2A1 P68400 1/20 0.38

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
SCHEMBL28054082 0.85 JAK2 (0.53) JAK2DYRK1ABTKPARP1JAK1
SCHEMBL28054159 0.85 JAK2 (0.47) JAK2DYRK1ABTKPARP1TYK2
SCHEMBL16319903 0.83 ALDH1A1 (0.44) JAK2DYRK1ABTKPARP1
SCHEMBL19279567 0.82 BTK (0.53) JAK2BTK
SCHEMBL123552 0.81 JAK2 (0.45) JAK2DYRK1ABTKTYK2
SCHEMBL16320628 0.80 BTK (0.56) JAK2BTK
SCHEMBL141907 0.80 JAK2 (0.56) JAK2DYRK1ABTKPARP1JAK1
SCHEMBL19279087 0.76 PBRM1 (0.48) DYRK1ABTKPARP1
SCHEMBL18138214 0.74 DYRK1A (0.47) JAK2DYRK1APARP1JAK1JAK3
SCHEMBL18975629 0.73 BTK (0.43) JAK2BTKTYK2

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