SCHEMBL30853347

SCHEMBL30853347

CS(=O)(=O)N1CCC(n2cc(C(N)=O)c3n[nH]cc3c2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.42
▸ JAK3 P52333 3/20 0.42
▸ JAK1 P23458 4/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCNA1 P78396 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ SYK P43405 2/20 0.35
▸ ASH1L Q9NR48 1/20 0.35
▸ PIM1 P11309 2/20 0.34
▸ TTK P33981 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK1 P06493 1/20 0.34

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
SCHEMBL27186352 0.72 KRAS (0.38) —
SCHEMBL27186348 0.72 KRAS (0.38) —
SCHEMBL30853313 0.70 — —
SCHEMBL27186309 0.66 BRD4 (0.39) LRRK2
SCHEMBL27186487 0.61 JAK1 (0.43) JAK2JAK3JAK1CDK2PIK3CD
SCHEMBL19331297 0.61 POLB (0.39) MEN1KMT2AASH1L
SCHEMBL6099917 0.60 JAK1 (0.41) JAK2JAK3JAK1CDK2IRAK4
SCHEMBL30853352 0.60 KDM4E (0.40) PIM1
SCHEMBL31582419 0.59 PARP1 (0.42) JAK2JAK3JAK1IRAK4SYK
SCHEMBL2031057 0.59 ALDH1A1 (0.49) JAK2JAK3TP53

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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