SCHEMBL5598412

SCHEMBL5598412

Cc1cc2c(F)cc[nH]c-2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
GPR84 Q9NQS5 1/20 0.35
MAPK1 P28482 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
GUSB P08236 1/20 0.34
KMT2A Q03164 2/20 0.33
APEX1 P27695 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HTR5A P47898 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL16631384 0.80 CDK2 (0.34) GAAGPR84ADORA2AADORA1GUSB
SCHEMBL16631415 0.79 DCUN1D1 (0.33) GAAGPR84GUSBMGAMSI
SCHEMBL18080448 0.73 TRPV1 (0.33) GPR84GUSBAPEX1P2RX7
SCHEMBL18080486 0.72 DCUN1D1 (0.31)
SCHEMBL31429643 0.70 PDE2A (0.37) KDM4EHPGDHSD17B10GAAMGAM
SCHEMBL8784700 0.68 GAA (0.47) GAAADORA2AADORA1KMT2AMEN1
SCHEMBL5610804 0.65 NUDT1 (0.43) KDM4EMAPK1KMT2AMEN1ALDH1A1
SCHEMBL22718498 0.65 TNNI3K (0.42) GAAKMT2AMEN1ALDH1A1HTR5A
SCHEMBL31429729 0.65 IDO1 (0.49) KDM4EHPGDHSD17B10MAPTGAA
SCHEMBL16631535 0.64 NPC1 (0.35) KDM4EHPGDHSD17B10ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539763-A4 AZAINDOLE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-08-01 EP disclosed
EP-1539763-A1 AZAINDOLE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-15 EP disclosed
WO-2004009601-A1 AZAINDOLE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-29 WO disclosed