SCHEMBL5334846

SCHEMBL5334846

Cc1cc2c(O)cncc2s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 17/20 0.34
SELE P16581 17/20 0.34
VCAM1 P19320 10/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PLK4 O00444 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
CHEK2 O96017 1/20 0.32
CDK1 P06493 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 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
SCHEMBL20319767 0.76 ALDH1A1 (0.32) ICAM1SELEVCAM1MEN1KMT2A
SCHEMBL5333499 0.76 ICAM1 (0.53) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7255085 0.71 ICAM1 (0.52) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL7060300 0.71 ICAM1 (0.57) ICAM1SELEVCAM1CCNCCDK8
SCHEMBL5311385 0.71 ALDH1A1 (0.35) MEN1KMT2AALDH1A1FGFR1
SCHEMBL5538163 0.70 CCNC (0.33) CCNCCDK8
SCHEMBL17866234 0.69 CA2 (0.53) MEN1KMT2AALDH1A1
SCHEMBL27702864 0.67 CSNK1D (0.47) ICAM1SELEMEN1KMT2ACCNC
SCHEMBL5332254 0.67 CCNC (0.35) MEN1KMT2ACCNCCDK8FGFR1
SCHEMBL4735353 0.65 KDM4E (0.47) ICAM1SELEVCAM1ALDH1A1PLK4

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
US-4496568-A Antiinflammatory thieno [2,3-c]pyridine derivatives PACOR (FR) 1985-01-29 US claimed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES THEREOF CYTOVIA, INC (US) 2007-05-18 WO disclosed