SCHEMBL30320466

SCHEMBL30320466

CC(C)(C)OC(=O)N1CCC(n2nc(-c3ccc([N+](=O)[O-])c(F)c3)c3c(N)ncnc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.58
▸ SRC P12931 7/20 0.57
▸ KDR P35968 6/20 0.57
▸ EGFR P00533 5/20 0.57
▸ PIK3CD O00329 4/20 0.57
▸ ABL1 P00519 4/20 0.57
▸ HCK P08631 4/20 0.57
▸ PIK3CA P42336 4/20 0.57
▸ PIK3CB P42338 4/20 0.57
▸ MTOR P42345 4/20 0.57
▸ PIK3CG P48736 4/20 0.57
▸ EPHB4 P54760 4/20 0.57
▸ PRKDC P78527 4/20 0.57
▸ PI4KB Q9UBF8 2/20 0.57
▸ RET P07949 2/20 0.53
▸ TGFBR1 P36897 2/20 0.51
▸ FGFR1 P11362 1/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ FGFR4 P22455 1/20 0.48
▸ FGFR3 P22607 1/20 0.48

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
SCHEMBL25793050 1.00 BTK (0.58) BTKSRCKDREGFRPIK3CD
SCHEMBL15706055 0.94 BTK (0.58) BTKSRCKDREGFRPIK3CD
SCHEMBL17106337 0.88 BTK (0.57) BTKSRCKDREGFRPIK3CD
SCHEMBL15706054 0.85 BTK (0.61) BTKSRCKDREGFRPIK3CD
SCHEMBL5801348 0.85 ABL1 (0.57) SRCKDREGFRPIK3CDABL1
SCHEMBL4820128 0.83 SRC (0.62) BTKSRCKDREGFRPIK3CD
SCHEMBL24197244 0.83 BTK (0.59) BTKSRCKDREGFRPIK3CD
SCHEMBL24096567 0.83 SRC (0.61) SRCKDREGFRPIK3CDABL1
SCHEMBL1321013 0.83 BTK (0.57) BTKSRCKDREGFRPIK3CD
SCHEMBL1318797 0.83 BTK (0.57) BTKSRCKDREGFRPIK3CD

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-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 — — EP disclosed
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