SCHEMBL2464537

SCHEMBL2464537

NC(=O)n1c2ccc(C3CCN(C(=O)O)CC3)cc2c2ccc(C(=O)N3CCOCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
BRD4 O60885 1/20 0.41
PKM P14618 1/20 0.41
CNR1 P21554 1/20 0.40
PARP10 Q53GL7 5/20 0.39
PARP14 Q460N5 3/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37

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
SCHEMBL2467176 0.89 PKM (0.41) CNR2BRD4PKMCNR1JAK2
SCHEMBL2471273 0.87 CNR2 (0.45) CNR2BRD4JAK2LMNA
SCHEMBL141784 0.73 JAK2 (0.67) BRD4JAK2JAK1TYK2JAK3
SCHEMBL2472271 0.71 GRM2 (0.42) CNR2BRD4PKMJAK2JAK1
SCHEMBL3700281 0.67 HPGD (0.42) CNR2PKMCNR1JAK2JAK1
SCHEMBL7371984 0.66 PARP10 (0.58) PARP10PARP14LMNACA12CA1
SCHEMBL3076585 0.65 TSHR (0.67) PKMHPGDLMNAL3MBTL1KMT2A
SCHEMBL27622584 0.63 CA12 (0.46) PARP10CA12CA1CA2CA7
SCHEMBL12921864 0.63 PHGDH (0.55) PKMHPGDL3MBTL1L3MBTL3POLB
SCHEMBL4777274 0.63 GAA (0.72) HPGDL3MBTL1L3MBTL3CA12CA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO disclosed