SCHEMBL30991796

SCHEMBL30991796

Ic1ccnc2[nH]ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 5/20 0.59
AXL P30530 1/20 0.59
IKBKB O14920 3/20 0.52
CHUK O15111 3/20 0.52
AURKB Q96GD4 3/20 0.52
IGF1R P08069 2/20 0.52
DYRK1B Q9Y463 2/20 0.52
JAK2 O60674 2/20 0.52
DAPK3 O43293 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
PAK4 O96013 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
FGFR1 P11362 1/20 0.52
PRKACA P17612 1/20 0.52
FLT1 P17948 1/20 0.52
LTK P29376 1/20 0.52
GRK5 P34947 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL306661 1.00 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL2240671 0.77 AURKB (0.71) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL24492983 0.75 PRKCI (0.50) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL1176829 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL21062776 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL99690 0.74 PRKCI (1.00) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL91443 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL3339974 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL858771 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL30084291 0.74 PRKCI (0.59) PRKCIAXLIKBKBCHUKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874363-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-11-12 CN disclosed
CN-114341124-B Protein tyrosine phosphatase inhibitors ARRAY生物制药公司 2024-09-20 CN disclosed
CN-118525018-A Bialkyne compound and application thereof 上海艾力斯医药科技股份有限公司 2024-08-20 CN disclosed
CN-118317950-A Sulfonamide compounds for the treatment of neurological disorders 拉里奥治疗有限公司 2024-07-09 CN disclosed