SCHEMBL5569031

SCHEMBL5569031

CCC(C)CNc1ncnc2[nH]cnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
HTT P42858 2/20 0.37
CDK1 P06493 6/20 0.35
CCNB1 P14635 5/20 0.35
CCNB2 O95067 4/20 0.35
CCNB3 Q8WWL7 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP4K4 O95819 1/20 0.33
CTSL P07711 2/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CACNA2D1 P54289 1/20 0.32
CHEK1 O14757 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL12620733 0.86 MAP4K4 (0.43) HTTCDK1CCNB1CCNB2CCNB3
SCHEMBL5066798 0.80 HTT (0.42) HTTCDK1CCNB1CCNB2CCNB3
SCHEMBL252899 0.78 LRRK2 (0.40) HTTSMN1; SMN2LMNATP53TSHR
SCHEMBL243905 0.78 LRRK2 (0.40) HTTSMN1; SMN2LMNATP53TSHR
SCHEMBL252871 0.78 LRRK2 (0.40) HTTSMN1; SMN2LMNATP53TSHR
SCHEMBL30479201 0.78 HTT (0.59) HTTCDK1CCNB1CCNB2CCNB3
SCHEMBL8826207 0.78 HTT (0.59) HTTCDK1CCNB1CCNB2CCNB3
SCHEMBL22524173 0.77 LMNA (0.44) CDK1CCNB1CCNB2CCNB3SMN1; SMN2
SCHEMBL150046 0.77 CYP1A2 (0.55) UTS2RHTTCDK1CCNB1CCNB2
SCHEMBL251552 0.76 PDE1B (0.43) HTTCDK1SMN1; SMN2MAP4K4CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596806-A4 COMPOSITIONS AND METHODS FOR TREATING CANCER USING IGSF9 AND LIV-1 BIOGEN IDEC INC (US) 2007-08-29 EP disclosed
US-20070071674-A1 Polynucleotides encoding novel isoforms of IGSF9 MCLACHLAN KAREN 2007-03-29 US disclosed
EP-1596806-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING IGSF9 AND LIV-1 Biogen Idec MA Inc. (US) 2005-11-23 EP disclosed
US-20040258616-A1 Compositions and methods for treating cancer using IGSF9 and LIV-1 IDEC PHARMACEUTICALS CORPORATION 2004-12-23 US disclosed
WO-2004066933-A2 COMPOSITIONS AND METHODS FOR TREATING CANCER USING IGSF9 AND LIV-1 BIOGEN IDEC MA INC. (US) 2004-08-12 WO disclosed
US-6166198-A Methods for oligonucleotide synthesis LA JOLLA PHARMACEUTICAL COMPANY (US) 2000-12-26 US disclosed