SCHEMBL28700989

SCHEMBL28700989

Nc1ccnc2nc(-c3ccccc3)[nH]c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.62
PI4K2B Q8TCG2 1/20 0.62
PI4K2A Q9BTU6 1/20 0.62
PI4KB Q9UBF8 1/20 0.62
FGFR1 P11362 1/20 0.53
FGFR2 P21802 1/20 0.53
GSK3B P49841 2/20 0.49
PRMT5 O14744 6/20 0.48
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
CSF1R P07333 2/20 0.46
AURKA O14965 2/20 0.46
MAPK13 O15264 1/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL14022269 0.80 PRMT5 (0.69) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL14022271 0.80 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL9175738 0.77 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL14022274 0.74 GSK3B (0.52) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL3693391 0.73 PI4KA (0.46) PI4KAPI4K2BPI4K2API4KBGSK3B
SCHEMBL3696208 0.73 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL1895948 0.72 NPC1 (0.55) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL4046146 0.72 METAP2 (0.64) PI4KAPI4K2BPI4K2API4KBFGFR1
SCHEMBL1284270 0.70 AURKA (0.73) PRMT5AURKA
SCHEMBL783654 0.70 PI4KA (0.67) PI4KAPI4K2BPI4K2API4KBFGFR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed
CN-109563092-B 2-phenylimidazo [4,5-B ] pyridin-7-amine derivatives useful as inhibitors of the activity of the mammalian tyrosine kinase ROR1 坎塞拉有限公司 2021-09-14 CN disclosed