SCHEMBL29844397

SCHEMBL29844397

NC(=O)c1cn(C2CCOCC2)c(=O)c2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.41
▸ BRD9 Q9H8M2 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ JAK2 O60674 2/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ TAF1 P21675 3/20 0.36
▸ CECR2 Q9BXF3 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ TYK2 P29597 1/20 0.35

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
SCHEMBL27186134 0.89 BRD9 (0.41) BTKBRD9JAK2JAK1JAK3
SCHEMBL27186174 0.85 BRD9 (0.40) BRD9JAK2JAK1JAK3TAF1
SCHEMBL30853365 0.80 BTK (0.39) BTKCECR2BRD4
SCHEMBL29844104 0.74 SOS1 (0.46) —
SCHEMBL27186376 0.74 SOS1 (0.46) —
SCHEMBL27186378 0.74 SOS1 (0.46) —
SCHEMBL30853318 0.68 BTK (0.39) BTKBRD9TAF1CECR2BRD4
SCHEMBL31316523 0.67 MET (0.47) MEN1KMT2APARP1JAK2JAK1
SCHEMBL21351692 0.67 DYRK1A (0.51) MEN1KMT2AJAK1JAK3
SCHEMBL30562059 0.65 CHEK2 (0.38) MEN1KMT2APARP1JAK2JAK1

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
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
WO-2022187266-A1 NOVEL SUBSTITUTED BICYCLI AZA-HETEROCYCLES AS SOS1 INHIBITORS VIVA STAR BIOSCIENCES (SUZHOU) CO., LTD. (CN) 2022-09-09 — — WO disclosed
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