SCHEMBL29998425

SCHEMBL29998425

CC(C)(C)OC(=O)N1CCCC(n2nc(-c3ccc(NC(=O)Oc4ccccc4)c(F)c3)c3c(N)ncnc32)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.59
▸ ITK Q08881 4/20 0.55
▸ EGFR P00533 4/20 0.54
▸ LCK P06239 2/20 0.54
▸ TEC P42680 3/20 0.54
▸ BMX P51813 3/20 0.54
▸ TXK P42681 2/20 0.54
▸ LYN P07948 2/20 0.54
▸ FGFR2 P21802 2/20 0.54
▸ FLT3 P36888 2/20 0.54
▸ RIPK2 O43353 1/20 0.54
▸ NR1I2 O75469 1/20 0.54
▸ SLC22A3 O75751 1/20 0.54
▸ LATS1 O95835 1/20 0.54
▸ NUDT14 O95848 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ ERBB2 P04626 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ CSF1R P07333 1/20 0.54

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
SCHEMBL27088060 1.00 BTK (0.59) BTKITKEGFRLCKTEC
SCHEMBL29999058 0.93 KDR (0.57) BTKITKEGFRLCKABL1
SCHEMBL27088072 0.93 KDR (0.57) BTKITKEGFRLCKABL1
SCHEMBL29999089 0.85 BTK (0.61) BTKITKEGFRABL1RET
SCHEMBL24096754 0.85 SRC (0.56) BTKITKEGFRLCKTEC
SCHEMBL29998387 0.85 SRC (0.56) BTKITKEGFRLCKTEC
SCHEMBL5801348 0.84 ABL1 (0.57) EGFRLCKABL1FYNRET
SCHEMBL1628863 0.84 BTK (0.81) BTKITKEGFRLCKTEC
SCHEMBL29671300 0.84 BTK (0.81) BTKITKEGFRLCKTEC
SCHEMBL12808088 0.84 BTK (0.81) BTKITKEGFRLCKTEC

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
EP-4320127-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022216680-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. (US) 2022-10-13 — — WO disclosed
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