SCHEMBL27429352

SCHEMBL27429352

Cc1cnn(C[C@H]2CNCCO2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 3/20 0.47
JAK2 O60674 2/20 0.47
TYK2 P29597 2/20 0.47
JAK3 P52333 2/20 0.47
TLR7 Q9NYK1 1/20 0.44
KIT P10721 2/20 0.43
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
ADRA2C P18825 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
ZAP70 P43403 1/20 0.38
SYK P43405 1/20 0.38

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
SCHEMBL27429343 1.00 JAK1 (0.47) JAK1JAK2TYK2JAK3TLR7
SCHEMBL27429338 0.81 ADRA2C (0.42) JAK1JAK2TYK2JAK3TLR7
Hydrochloric Acid SCHEMBL31361721 0.78 JAK2 (0.40) JAK1JAK2TYK2JAK3TLR7
Hydrochloric Acid SCHEMBL31361709 0.78 JAK2 (0.40) JAK1JAK2TYK2JAK3TLR7
SCHEMBL6936859 0.77 ALDH1A1 (0.52) ALDH1A1POLBCYP2D6
SCHEMBL12093355 0.77 ALDH1A1 (0.52) ALDH1A1POLBCYP2D6
SCHEMBL12093440 0.77 ALDH1A1 (0.52) ALDH1A1POLBCYP2D6
SCHEMBL24299650 0.76 IRAK4 (0.41) IRAK4ALDH1A1POLB
SCHEMBL6935094 0.76 ALDH1A1 (0.48) ALDH1A1POLBCYP2D6
SCHEMBL12093357 0.76 ALDH1A1 (0.48) ALDH1A1POLBCYP2D6

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-2024118887-A1 N-PHENYL-PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS WILD TYPE C-KIT KINASE INHIBITORS FOR THE TREATMENT OF URTICARIA BLUEPRINT MEDICINES CORPORATION (US) 2024-06-06 WO disclosed