SCHEMBL30853365

SCHEMBL30853365

NC(=O)c1cn(C2COCN2)c(=O)c2cc[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.39
▸ BRD4 O60885 3/20 0.34
▸ CECR2 Q9BXF3 1/20 0.33
▸ PDPK1 O15530 1/20 0.33

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
SCHEMBL29844397 0.80 BTK (0.41) BTKBRD4CECR2
SCHEMBL30853313 0.77 — —
SCHEMBL27186134 0.68 BRD9 (0.41) BTKBRD4CECR2
SCHEMBL30853318 0.68 BTK (0.39) BTKBRD4CECR2PDPK1
SCHEMBL29168395 0.65 CFTR (0.31) —
SCHEMBL27186174 0.65 BRD9 (0.40) BRD4CECR2
SCHEMBL29168332 0.62 KDM4E (0.39) —
SCHEMBL29154699 0.59 SMN1; SMN2 (0.34) —
SCHEMBL16333767 0.59 BTK (0.56) BTKPDPK1
SCHEMBL2424952 0.59 BTK (0.56) BTKPDPK1

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
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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