SCHEMBL30498458

SCHEMBL30498458

Oc1cnc(Cl)nc1NC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.65
▸ AXL P30530 1/20 0.52
▸ ADORA3 P0DMS8 9/20 0.41
▸ ADORA1 P30542 8/20 0.41
▸ ADORA2A P29274 6/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ S100A9 P06702 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ PDE10A Q9Y233 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
SCHEMBL27196885 1.00 KMT2A (0.65) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL31340962 0.83 KMT2A (0.47) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL1934159 0.83 KMT2A (0.69) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL1937546 0.81 KMT2A (0.71) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL1976634 0.80 KMT2A (0.65) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL22866360 0.80 KMT2A (0.97) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL29860203 0.80 KMT2A (0.65) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL1783010 0.80 KMT2A (0.65) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL13812811 0.80 KMT2A (0.65) KMT2AAXLADORA3ADORA1ADORA2A
SCHEMBL13812813 0.80 KMT2A (0.65) KMT2AAXLADORA3ADORA1ADORA2A

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-116529251-A Substituted fused bicyclic compounds as kinase inhibitors and their use 上海瑛派药业有限公司 2023-08-01 — — CN disclosed
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