SCHEMBL3405758

SCHEMBL3405758

COBNc1cn2nc(Sc3nnc4ccccn34)ccc2n1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 8/20 0.35
KDM4E B2RXH2 7/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
CYP2C9 P11712 1/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HTT P42858 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
SCHEMBL3394855 0.86 KDM4E (0.30) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5954339 0.82 KDM4E (0.38) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL253680 0.79 CSNK1D (0.44) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL253551 0.79 SMN1; SMN2 (0.40) LMNASMN1; SMN2KDM4EALDH1A1CSNK1D
SCHEMBL252283 0.77 RAB9A (0.41) RAB9ANPC1LMNAKMT2AMEN1
SCHEMBL251711 0.76 CSNK1D (0.53) KMT2AKDM4EALDH1A1CSNK1DCSNK1E
SCHEMBL3405752 0.69 PIK3CA (0.32)
SCHEMBL5953672 0.68 KDM4E (0.30) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL5954590 0.66 JAK1 (0.48) RAB9ANPC1CSNK1DCSNK1E
SCHEMBL5955071 0.65 KDR (0.44) CSNK1DCSNK1E

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
WO-2012003338-A1 COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-05 WO disclosed
WO-2010019899-A1 cMET INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed