SCHEMBL19005064

SCHEMBL19005064

Cc1cnn(CC2CC2C)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35
PLAA Q9Y263 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CRHR1 P34998 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOS1 P29475 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19122381 0.82 LMNA (0.36) ALPIALPGPLAALMNAHTT
SCHEMBL20732642 0.80 MPO (0.32)
SCHEMBL6936894 0.77 CRHR1 (0.46) ALPIALPGPLAAJAK2JAK1
SCHEMBL13005660 0.74 ALPI (0.36) ALPIALPGPLAAJAK2JAK1
SCHEMBL23762953 0.73 CRHR1 (0.37) ALPIALPGPLAAJAK2JAK1
SCHEMBL13393548 0.73 ALDH1A1 (0.43) ALPIALPGPLAAJAK2JAK1
SCHEMBL19004934 0.73 ALPI (0.37) ALPIALPGPLAAJAK2JAK1
SCHEMBL24907791 0.73 CRHR1 (0.35) ALPIALPGPLAAJAK2JAK1
SCHEMBL19004952 0.72 FFAR1 (0.55)
SCHEMBL18986077 0.72 FFAR1 (0.55)

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
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed