SCHEMBL5555951

SCHEMBL5555951

O=C(O)c1cc2ccnc(-c3cccc(-c4ccccc4)c3)c2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 3/20 0.51
BCL2L1 Q07817 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K1 Q02750 1/20 0.42
TBXAS1 P24557 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KMO O15229 2/20 0.41
ACMSD Q8TDX5 1/20 0.40
RORB Q92753 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GSK3B P49841 2/20 0.37
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CHEK2 O96017 1/20 0.37
CDK1 P06493 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
SCHEMBL5555891 0.76 MAP3K8 (0.76) MAP3K8MAPK1MAP2K1MEN1POLB
SCHEMBL3642157 0.72 GPR35 (0.43) BCL2L1TBXAS1MEN1KMT2AKMO
SCHEMBL15697559 0.72 BCL2L1 (0.54) MAP3K8BCL2L1TBXAS1MEN1POLB
SCHEMBL17053160 0.72 KMT2A (0.47) BCL2L1TBXAS1MEN1KMT2AKDM4E
SCHEMBL20783838 0.69 RAB9A (0.37) RAB9AKMT2AKDM4EALDH1A1
SCHEMBL5125812 0.69 KDM4E (0.65) KMOACMSDRORBKDM4EALDH1A1
SCHEMBL22777733 0.69 BCL2L1 (0.46) MAP3K8BCL2L1MEN1POLBRAB9A
SCHEMBL3141880 0.68 KDM4E (0.57) MAPK1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL27738181 0.68 RAB9A (0.58) MAP3K8MAPK1MAP2K1MEN1POLB
SCHEMBL5553871 0.68 MAP3K8 (0.86) MAP3K8MAPK1MAP2K1POLBRAB9A

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-1753428-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2007-02-21 EP disclosed
WO-2005110410-A2 KINASE INHIBITORS AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-11-24 WO disclosed