SCHEMBL30173305

SCHEMBL30173305

Clc1c(-c2ccccc2)cnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.58
CDK8 P49336 3/20 0.58
PRKD3 O94806 2/20 0.58
MAP4K4 O95819 2/20 0.58
IGF1R P08069 2/20 0.58
FGFR1 P11362 2/20 0.58
FLT1 P17948 2/20 0.58
KDR P35968 2/20 0.58
MAPK8 P45983 2/20 0.58
CLK2 P49760 2/20 0.58
JAK3 P52333 2/20 0.58
CDK5 Q00535 2/20 0.58
MAP4K2 Q12851 2/20 0.58
DYRK1A Q13627 2/20 0.58
NTRK3 Q16288 2/20 0.58
NTRK2 Q16620 2/20 0.58
AURKB Q96GD4 2/20 0.58
CLK4 Q9HAZ1 2/20 0.58
IKBKB O14920 1/20 0.58
CHUK O15111 1/20 0.58

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
SCHEMBL3725709 1.00 JAK2 (0.58) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL28596878 0.90 NUDT1 (0.51) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL30173327 0.84 NUDT1 (0.68) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL30173337 0.84 NUDT1 (0.68) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL30173320 0.84 NUDT1 (0.68) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL28606321 0.84 NUDT1 (0.68) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL28602236 0.84 NUDT1 (0.68) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL30173343 0.84 AXL (0.53) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL28598985 0.84 AXL (0.53) JAK2CDK8PRKD3MAP4K4IGF1R
SCHEMBL28609163 0.84 AXL (0.61) JAK2CDK8PRKD3MAP4K4IGF1R

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
CN-113200983-B Compound with pyrrolopyridine structure, preparation method and medical application 中国药科大学 2023-01-03 CN disclosed