SCHEMBL24427562

SCHEMBL24427562

Nc1n[nH]c2cc(-c3cnc[nH]3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 14/20 0.58
JAK2 O60674 2/20 0.55
ASIC3 Q9UHC3 1/20 0.53
TGFBR1 P36897 7/20 0.51
AURKA O14965 6/20 0.51
AURKB Q96GD4 6/20 0.51
ROCK1 Q13464 4/20 0.51
CHUK O15111 1/20 0.51
RPS6KB1 P23443 1/20 0.51
CDK2 P24941 1/20 0.51
KDR P35968 1/20 0.51
SYK P43405 1/20 0.51
JAK3 P52333 1/20 0.51
MAP3K5 Q99683 1/20 0.51
PRMT5 O14744 1/20 0.51
WDR77 Q9BQA1 1/20 0.51
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47

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
SCHEMBL6485242 0.73 PDPK1 (1.00) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL421269 0.73 JAK2 (0.77) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL24427513 0.73 JAK2 (0.53) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL6492377 0.72 JAK2 (0.69) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL3361070 0.71 JAK2 (1.00) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL12907241 0.71 JAK2 (1.00) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL6480460 0.71 PDPK1 (0.65) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL989969 0.71 ASIC3 (0.51) ASIC3MAPTNPSR1CYP11B1CYP11B2
SCHEMBL6479941 0.70 JAK2 (0.72) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL6488855 0.70 JAK2 (0.72) PDPK1JAK2TGFBR1AURKAAURKB

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
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 EP disclosed