SCHEMBL44225

SCHEMBL44225

COCCOc1cc(-c2cn3ncccc3n2)cc(-c2noc(C(=O)NCc3cccnc3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 4/20 0.47
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL45706 0.90 SMPD1 (0.41) MAPTSMN1; SMN2LMNARAB9AKDM4E
SCHEMBL43952 0.86 SMPD1 (0.36) MAPTLMNATP53GAAPOLB
SCHEMBL44454 0.85 CHEK2 (0.36) MAPTLMNATP53GAAPOLB
SCHEMBL44296 0.85 MARK3 (0.39) MAPTSMN1; SMN2LMNAKMT2APKM
SCHEMBL44205 0.85 SMPD1 (0.35) HPGD
SCHEMBL44632 0.84 LMNA (0.36) MAPTLMNATP53POLB
SCHEMBL44541 0.83 PDE4B (0.41) MAPTSMN1; SMN2RAB9ANPC1TP53
SCHEMBL44473 0.82 GRM5 (0.40) MAPTSMN1; SMN2LMNARAB9ANPC1
SCHEMBL44556 0.82 GSK3B (0.43) TSHR
SCHEMBL44956 0.81 HSD17B10 (0.43) MAPTLMNAKDM4EKMT2AHSD17B10

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
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed