SCHEMBL25714928

SCHEMBL25714928

C=CC(=O)Nc1ccc(-c2ccc(N)c(C(=N)N)c2-c2ccc(C(=O)Nc3ccccn3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.47
▸ EGFR P00533 3/20 0.47
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NAMPT P43490 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL25714929 0.79 KIT (0.51) BTKEGFRNPC1RAB9AMEN1
SCHEMBL25718087 0.76 TGM2 (0.46) BTKEGFR
SCHEMBL25718093 0.75 TDP2 (0.33) F2
SCHEMBL25718089 0.73 BTK (0.41) BTKEGFRSMN1; SMN2FLT3
SCHEMBL25718094 0.72 BTK (0.41) BTKEGFRFLT3
SCHEMBL25716847 0.72 BTK (0.40) BTKEGFRF2
SCHEMBL27548451 0.72 RAB9A (0.71) NPC1RAB9AMEN1KMT2ACHRNB2
SCHEMBL25715112 0.71 BTK (0.40) BTKEGFR
SCHEMBL25716915 0.71 BTK (0.46) BTKEGFRNPC1RAB9AMEN1
SCHEMBL25718197 0.69 TGM2 (0.39) BTKSMN1; SMN2

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
WO-2023104035-A1 SUBSTITUTED MONOCYCLIC OR BICYCLIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 英矽智能科技(上海)有限公司 2023-06-15 — — WO disclosed
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