SCHEMBL14563261

SCHEMBL14563261

Cc1ccc2oc(=O)n(Cc3cccc(-c4nccc(N5CCN(OC(=O)OC(C)(C)C)CC5)n4)c3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HCRTR1 O43613 4/20 0.33
▸ HCRTR2 O43614 4/20 0.33
▸ MTOR P42345 2/20 0.33
▸ TNIK Q9UKE5 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ MIF P14174 2/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ FAAH O00519 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
SCHEMBL2545745 0.90 WNT3A (0.41) PIK3CAALDH1A1LMNATBK1WNT3A
SCHEMBL14563194 0.88 TNIK (0.33) MEN1KMT2AKDM4EPIK3CDALDH1A1
SCHEMBL2543647 0.82 HTR6 (0.42) MEN1KMT2ACYP3A4KDM4ECYP1A2
SCHEMBL3631469 0.81 PIK3CA (0.42) MEN1KMT2ACYP3A4KDM4ECYP1A2
SCHEMBL2556083 0.78 MAPK1 (0.42) MEN1KMT2ACYP2C19PIK3CATBK1
SCHEMBL3636656 0.75 MET (0.52) —
SCHEMBL2546963 0.71 BRD4 (0.43) MEN1KMT2ACYP3A4KDM4ECYP1A2
SCHEMBL2543313 0.71 MIF (0.47) MEN1KMT2APIK3CDTNIKMIF
SCHEMBL2542519 0.69 POLB (0.43) MEN1KMT2AKDM4EPIK3CDALDH1A1
SCHEMBL2545825 0.69 USP2 (0.41) MEN1KMT2ACYP3A4CYP1A2CYP2C19

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
EP-2150551-B1 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS MERCK PATENT GMBH (DE) 2013-01-16 — — EP disclosed
Send feedback