SCHEMBL1769102

SCHEMBL1769102

Cc1nc(C(F)(F)F)c(C#N)c(-c2cc3c(N)nccc3o2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MET P08581 4/20 0.38
MAPT P10636 7/20 0.38
XBP1 P17861 1/20 0.38
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
ALDH1A1 P00352 7/20 0.33
HPGD P15428 7/20 0.33
KDM4E B2RXH2 6/20 0.33
PKM P14618 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
GAA P10253 5/20 0.33
GLA P06280 4/20 0.33

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
SCHEMBL1769028 0.83 MET (0.42) HTTLMNAPOLBSMN1; SMN2MET
SCHEMBL1769116 0.81 KDM4E (0.46) HTTSMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL1769255 0.78 KDM4E (0.44) HTTLMNAPOLBHIF1AMET
SCHEMBL6437228 0.65 MET (0.42) POLBMETMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL23013699 0.64 MET (0.41) METADORA2A
SCHEMBL12649852 0.63 MET (0.50) HTTLMNAPOLBSMN1; SMN2MET
SCHEMBL8269242 0.63 MET (0.44) METKDM4EMEN1KMT2A
SCHEMBL1584535 0.62 HTT (0.39) HTTLMNAPOLBNCOA1SMN1; SMN2
SCHEMBL16355263 0.62 LMNA (0.40) HTTLMNAPOLBNCOA1SMN1; SMN2
SCHEMBL12649578 0.60 MET (0.52) HTTLMNAPOLBSMN1; SMN2MET

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-2501700-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF Bayer Intellectual Property GmbH (DE) 2012-09-26 EP disclosed
WO-2011061157-A1 FUROPYRIDINYL-SUBSTITUTED 1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 WO disclosed