SCHEMBL4667318

SCHEMBL4667318

COC(=O)c1cc(C2CC2)ccc1Nc1c(Br)c(C2CC2)nn1-c1ncccc1C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.40
MALT1 Q9UDY8 4/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
ALK Q9UM73 1/20 0.33
CSF1R P07333 1/20 0.33

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
SCHEMBL14600989 0.91 DHODH (0.49) DHODH
SCHEMBL4665857 0.81 DHODH (0.42) DHODHMALT1KDM4EPOLB
SCHEMBL14600461 0.79 DHODH (0.51) DHODH
SCHEMBL14600455 0.78 DHODH (0.47) DHODH
SCHEMBL14600459 0.77 DHODH (0.49) DHODH
SCHEMBL4666242 0.76 CRACR2A (0.38) MALT1KDM4EPOLB
SCHEMBL14600460 0.75 DHODH (0.51) DHODH
SCHEMBL14600254 0.73 ADORA1 (0.51) DHODH
SCHEMBL4665671 0.73 P2RY1 (0.37) DHODHKDM4EPOLB
SCHEMBL14600261 0.73 DHODH (0.52) DHODH

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-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed