SCHEMBL4349262

SCHEMBL4349262

O=C(/C=C/c1c[nH]c2ncccc12)NCCCN1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
ITGB2 P05107 6/20 0.51
ICAM1 P05362 6/20 0.51
ITGAL P20701 6/20 0.51
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 1/20 0.44
BTK Q06187 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
SCHEMBL4349270 1.00 ALDH1A1 (0.52) ALDH1A1TSHRITGB2ICAM1ITGAL
SCHEMBL4348286 0.82 SMN1; SMN2 (0.47) ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4348279 0.82 SMN1; SMN2 (0.47) ALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL4357217 0.81 GSK3B (0.49) SMN1; SMN2KMT2A
SCHEMBL4357208 0.81 GSK3B (0.49) SMN1; SMN2KMT2A
SCHEMBL4343023 0.77 GSK3B (0.61) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4343018 0.77 GSK3B (0.61) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7993255 0.75 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EHSD17B10SMN1; SMN2
SCHEMBL4351407 0.74 HPGD (0.49) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL4351400 0.74 HPGD (0.49) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP claimed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed