SCHEMBL28058638

SCHEMBL28058638

NC(=O)c1cccc2[nH]c3cc(CO)ccc3c12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
BTK Q06187 3/20 0.42
JAK2 O60674 2/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
KIF11 P52732 1/20 0.38
MAOA P21397 1/20 0.37
DYRK1A Q13627 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
PI4K2A Q9BTU6 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
SCHEMBL27982181 0.89 ALDH1A1 (0.49) PARP1KDM4EALDH1A1BTKJAK2
SCHEMBL28058608 0.84 KDM4E (0.45) PARP1KDM4EALDH1A1BTKJAK2
SCHEMBL15995219 0.81 HTR7 (0.46) PARP1KDM4EALDH1A1BTKJAK2
SCHEMBL152790 0.81 BTK (0.41) PARP1KDM4EALDH1A1BTKJAK2
SCHEMBL30849286 0.80 KIF11 (0.50) PARP1KDM4EALDH1A1BTKJAK2
SCHEMBL6129592 0.79 IMPDH2 (0.55) PARP1KDM4EALDH1A1DYRK1A
SCHEMBL30006934 0.79 IMPDH2 (0.55) PARP1KDM4EALDH1A1DYRK1A
SCHEMBL3690163 0.77 KIF11 (0.41) PARP1KDM4EALDH1A1KIF11MAOA
SCHEMBL15995032 0.76 BTK (0.46) PARP1BTKJAK2KIF11
SCHEMBL149527 0.75 BTK (0.47) PARP1KDM4EALDH1A1BTKJAK2

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-105473573-A Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2016-04-06 CN disclosed