SCHEMBL5756044

SCHEMBL5756044

[c]1ccnc(-c2ccncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
HSP90AA1 P07900 2/20 0.35
MAPK14 Q16539 4/20 0.35
MAPK11 Q15759 3/20 0.35
MAPK9 P45984 2/20 0.35
MAPK13 O15264 2/20 0.35
MAPK12 P53778 2/20 0.35
RAF1 P04049 1/20 0.35
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
METAP1 P53582 1/20 0.34
BLM P54132 1/20 0.34
HIF1A Q16665 1/20 0.34
DOHH Q9BU89 1/20 0.34
P4HTM Q9NXG6 1/20 0.34

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
SCHEMBL1450328 0.80 KDM4E (0.36) HSP90AA1KDM4ELMNACCR1CCR5
SCHEMBL10402322 0.78 HSP90AA1 (0.48) GRM5HSP90AA1MAPK14MAPK11MAPK9
SCHEMBL30595872 0.78 HSP90AA1 (0.52) GRM5HSP90AA1MAPK14MAPK11MAPK9
SCHEMBL2814353 0.78 HSP90AA1 (0.52) GRM5HSP90AA1MAPK14MAPK11MAPK9
SCHEMBL2115044 0.77 GRM5 (0.42) GRM5HSP90AA1MAPK14MAPK11MAPK9
SCHEMBL1450322 0.77 KDM4E (0.64) GRM5HSP90AA1KDM4ELMNACCR1
SCHEMBL606773 0.75 LMNA (0.42) KDM4ELMNACYP1A2CYP2D6CYP3A4
SCHEMBL29394083 0.74 KDM4E (0.67) GRM5HSP90AA1MAPK14MAPK11MAPK9
SCHEMBL4294864 0.74 KDM4E (0.67) GRM5HSP90AA1MAPK14MAPK11MAPK9
SCHEMBL7502475 0.73 HSP90AA1 (0.37) GRM5HSP90AA1MAPK14MAPK11MAPK9

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-1664027-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-06-07 EP claimed
WO-2005021532-A1 SUBSTITUTED 2,3-DIHYDRO-1H-ISOINDOL-1-ONE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2005-03-10 WO claimed