SCHEMBL30099800

SCHEMBL30099800

c1ccc2c(Nc3cc(C4CCC4)[nH]n3)nc(Nc3ccc4nc[nH]c4c3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 4/20 1.00
▸ PDK1 Q15118 1/20 1.00
▸ ULK2 Q8IYT8 1/20 1.00
▸ NTRK1 P04629 2/20 0.54
▸ NTRK3 Q16288 1/20 0.51
▸ NTRK2 Q16620 1/20 0.51
▸ SRC P12931 4/20 0.51
▸ GSK3B P49841 4/20 0.51
▸ AURKA O14965 1/20 0.51
▸ PAK4 O96013 1/20 0.49
▸ PAK1 Q13153 1/20 0.49
▸ IGF1R P08069 1/20 0.48
▸ CCNA2 P20248 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ NPY5R Q15761 1/20 0.46
▸ FLT3 P36888 1/20 0.46

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
SCHEMBL31471753 0.89 ULK1 (0.80) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL12430671 0.83 ULK1 (0.72) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL31471758 0.83 ULK1 (0.72) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL13054459 0.83 ULK1 (0.71) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL19654491 0.83 ULK1 (0.71) ULK1PDK1ULK2NTRK1IGF1R
SCHEMBL12430667 0.81 ULK1 (0.86) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL31471779 0.81 ULK1 (0.86) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL13054460 0.81 ULK1 (0.69) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL31471741 0.81 ULK1 (0.80) ULK1PDK1ULK2NTRK1NTRK3
SCHEMBL31471744 0.81 ULK1 (0.80) ULK1PDK1ULK2NTRK1NTRK3

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-20220387569-A1 INDUCED PLURIPOTENT STEM CELL-BASED CANCER VACCINES KHLORIS BIOSCIENCES, INC. (US) 2022-12-08 — — US disclosed
Send feedback