SCHEMBL1704102

SCHEMBL1704102

Cc1ccnc(Nc2cc([N+](=O)[O-])cc(Cl)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
SYK P43405 2/20 0.43
GSK3B P49841 2/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
IGF1R P08069 1/20 0.43
LTK P29376 1/20 0.43
KDR P35968 1/20 0.43
MAP2K2 P36507 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43

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
SCHEMBL904199 0.81 SYK (0.44) SYKALDH1A1
SCHEMBL902723 0.78 POLB (0.44) KMT2AMAPTMEN1POLBLMNA
SCHEMBL20913317 0.74 MAPT (0.48) KMT2AMAPTMEN1POLBSMN1; SMN2
SCHEMBL13316448 0.73 ALDH1A1 (0.56) KMT2AMAPTMEN1POLBLMNA
SCHEMBL29136879 0.73 KMT2A (0.42) KMT2AMAPTMEN1POLBLMNA
SCHEMBL29136877 0.73 KMT2A (0.42) KMT2AMAPTMEN1POLBLMNA
SCHEMBL2912518 0.72 KDR (0.57) KMT2AMEN1POLBSMN1; SMN2SYK
SCHEMBL899149 0.71 TSHR (0.48) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL16876539 0.70 MAP4K4 (0.61) KMT2AMEN1POLBSYKGSK3B
SCHEMBL31247411 0.69 NPC1 (0.50) KMT2AMEN1POLBSYKGSK3B

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
EP-2441755-A1 Pyridine- and isoquinoline-derivatives as Syk and JAK kinase inhibitors Almirall, S.A. (ES) 2012-04-18 EP disclosed