SCHEMBL2472271

SCHEMBL2472271

NC(=O)n1c2ccc(C3=CC=NCC3)cc2c2ccc(C(=O)N3CCOCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
CYP11B2 P19099 2/20 0.41
JAK2 O60674 11/20 0.41
BRD4 O60885 1/20 0.40
PKM P14618 2/20 0.39
CNR2 P34972 1/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
BTK Q06187 2/20 0.38
PTGER4 P35408 1/20 0.38
CSF1R P07333 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 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 0.71 PKM (0.41) GRM2JAK2BRD4PKMCNR2
SCHEMBL2464537 0.71 CNR2 (0.42) JAK2BRD4PKMCNR2JAK1
SCHEMBL2471273 0.67 CNR2 (0.45) JAK2BRD4CNR2BTK
SCHEMBL3700281 0.63 HPGD (0.42) JAK2PKMCNR2JAK1TYK2
SCHEMBL10720943 0.60 PHGDH (0.81) PKMKDM4E
SCHEMBL14933150 0.60 GRM2 (1.00) GRM2
SCHEMBL2999369 0.60 PHGDH (0.69) PKMKDM4E
SCHEMBL8172365 0.59 EPHX2 (0.71) KDM4ENPC1RAB9A
SCHEMBL546571 0.59 PKM (0.62) PKMKDM4E
SCHEMBL365228 0.59 HPGD (0.47) GRM2JAK2PKMCNR2JAK1

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