SCHEMBL11488992

SCHEMBL11488992

c1ccc2c(c1)nc(C1CCCCC1)c1nccn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 7/20 0.63
LCK P06239 3/20 0.58
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
TOP2A P11388 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CDK9 P50750 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11484867 0.96 MAPK8 (0.57) MAPK8LCKHTR3EHTR3BHTR3A
SCHEMBL8116882 0.85 HTR3E (0.62) MAPK8LCKHTR3EHTR3BHTR3A
SCHEMBL8117091 0.77 MAPK8 (1.00) MAPK8LCKTOP2AALDH1A1SMN1; SMN2
SCHEMBL8118642 0.76 MAPK8 (0.97) MAPK8LCKTOP2AALDH1A1SMN1; SMN2
SCHEMBL8112977 0.74 HTR3E (0.78) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL120846 0.71 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL13131265 0.71 PTPN2 (0.59) MAPK8LCKHTR3EHTR3BHTR3A
SCHEMBL31746758 0.71 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL30578099 0.71 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D
SCHEMBL169235 0.71 MAPK8 (0.54) MAPK8HTR3EHTR3BHTR3AHTR3D

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
US-4200750-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, ANTIBODY INHIBITORS WESTWOOD PHARMACEUTICALS INC. (US) 1980-04-29 US claimed