SCHEMBL14311331

SCHEMBL14311331

CNc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 3/20 0.42
CXCR3 P49682 7/20 0.38
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
SMO Q99835 2/20 0.36
DYRK1A Q13627 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TRPV1 Q8NER1 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
SCHEMBL4395236 0.90 CXCR3 (0.38) SGPL1CXCR3SMODYRK1ALMNA
SCHEMBL4395233 0.90 CXCR3 (0.38) SGPL1CXCR3SMODYRK1ALMNA
SCHEMBL4250881 0.90 CXCR3 (0.39) SGPL1CXCR3RETSMODYRK1A
SCHEMBL4250878 0.90 CXCR3 (0.39) SGPL1CXCR3RETSMODYRK1A
SCHEMBL4246983 0.89 CXCR3 (0.38) SGPL1CXCR3RETSMODYRK1A
SCHEMBL4253832 0.89 CXCR3 (0.38) SGPL1CXCR3RETSMODYRK1A
SCHEMBL4246977 0.89 CXCR3 (0.38) SGPL1CXCR3RETSMODYRK1A
SCHEMBL4249522 0.89 CXCR3 (0.38) SGPL1CXCR3RETSMODYRK1A
SCHEMBL4251539 0.88 SGPL1 (0.40) SGPL1CXCR3RETSMOLMNA
SCHEMBL4251536 0.88 SGPL1 (0.40) SGPL1CXCR3RETSMOLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO disclosed