SCHEMBL30107421

SCHEMBL30107421

O=C(Nc1cc2cc(Cl)nc(Cl)c2cn1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.54
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.45
TSHR P16473 1/20 0.45
FSHR P23945 1/20 0.45
P2RX7 Q99572 1/20 0.44
ROCK2 O75116 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MGLL Q99685 1/20 0.43
PTGER1 P34995 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SCD O00767 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL20518879 1.00 MAP4K1 (0.54) MAP4K1MAPK1POLBTSHRFSHR
SCHEMBL20519085 0.89 MAP4K1 (0.65) MAP4K1MAPK1POLBTSHRFSHR
SCHEMBL30107453 0.89 MAP4K1 (0.65) MAP4K1MAPK1POLBTSHRFSHR
SCHEMBL13327790 0.76 POLB (0.55) POLBP2RX7SMN1; SMN2MGLLPTGER1
SCHEMBL20519921 0.74 L3MBTL1 (0.50) MAP4K1
SCHEMBL30107289 0.74 L3MBTL1 (0.50) MAP4K1
SCHEMBL20520009 0.74 GSK3B (0.47) MAP4K1MAPK1PTGER1MAPKAPK2
SCHEMBL5143604 0.73 DEGS1 (0.65) POLBTSHRFSHRP2RX7ROCK2
SCHEMBL8129165 0.73 POLB (0.51) MAP4K1POLBTSHRFSHRSMN1; SMN2
SCHEMBL19194841 0.72 MAP4K1 (0.49) MAP4K1MAPK1POLBTSHRFSHR

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-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed