SCHEMBL23107322

SCHEMBL23107322

Cc1cnc2nn(C)ccc1-2

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.35
▸ JMJD6 Q6NYC1 5/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ MKNK2 Q9HBH9 1/20 0.33
▸ MAPK10 P53779 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31
▸ TGFBR1 P36897 1/20 0.30

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
SCHEMBL23089155 0.78 KMT2A (0.34) KMT2AJMJD6KEAP1CYP19A1
SCHEMBL23109055 0.77 USP1 (0.34) KMT2AJMJD6KEAP1
SCHEMBL23114612 0.76 JMJD6 (0.35) KMT2AJMJD6NPC1RAB9AKEAP1
SCHEMBL31512002 0.69 NOS3 (0.46) KMT2AJMJD6KEAP1MAPK10
SCHEMBL29153859 0.64 KMT2A (0.44) KMT2AJMJD6KEAP1MKNK1MKNK2
SCHEMBL23107329 0.64 MAOA (0.43) TGFBR1
SCHEMBL75314 0.63 — —
SCHEMBL30633585 0.62 CRHR1 (0.36) KMT2A
SCHEMBL23761304 0.62 MAPK14 (0.40) —
SCHEMBL18157906 0.62 KMT2A (0.64) KMT2AJMJD6KEAP1MKNK1MKNK2

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
WO-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 — — WO disclosed
WO-2021050964-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2021-03-18 — — WO disclosed
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