SCHEMBL2230401

SCHEMBL2230401

Cc1cccc(C#Cc2cnc(C#N)c(Cl)c2)c1C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GRM4 Q14833 1/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
AR P10275 3/20 0.35
TSHR P16473 1/20 0.33
SMO Q99835 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
GRM5 P41594 2/20 0.32
RAF1 P04049 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
SCHEMBL1006186 0.83 KDM4E (0.35) FFAR1KDM4EALDH1A1POLBGRM5
SCHEMBL1010354 0.80 GRM5 (0.46) KDM4EALDH1A1POLBSMOGRM5
SCHEMBL1008733 0.77 KDM4E (0.49) KDM4EALDH1A1POLBGRM4GRM5
SCHEMBL1675489 0.76 ADK (0.34) KDM4EALDH1A1POLBABL1BCR
SCHEMBL1006671 0.76 HPGDS (0.41) ALDH1A1POLBABL1BCRAR
SCHEMBL1007852 0.75 KDM4E (0.34) KDM4EALDH1A1POLBGRM5
SCHEMBL1008800 0.74 RECQL (0.34) ALDH1A1GRM5
SCHEMBL19063455 0.74 ALDH1A1 (0.40) KDM4EALDH1A1POLBEGLN1GRM5
SCHEMBL1527521 0.72 MAPT (0.34) ALDH1A1POLBAR
SCHEMBL1007402 0.72 S1PR3 (0.41)

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-2512478-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF Novartis AG (CH) 2012-10-24 EP disclosed
WO-2011084549-A1 HOMOGENEOUS SUSPENSION OF IMMUNOPOTENTIATING COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2011-07-14 WO disclosed