SCHEMBL30896357

SCHEMBL30896357

Cc1cc(-c2cc3c(cnn3C)cc2N)ccn1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
USP7 Q93009 1/20 0.41
ADORA2A P29274 1/20 0.38
TRPA1 O75762 1/20 0.38
MTOR P42345 2/20 0.38
SLC2A1 P11166 1/20 0.38
DYRK1A Q13627 2/20 0.36
PIK3CB P42338 1/20 0.36
NFATC1 O95644 1/20 0.36
CLK1 P49759 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
GRM2 Q14416 2/20 0.36
CCNC P24863 3/20 0.36
CDK8 P49336 3/20 0.36
MAP4K4 O95819 2/20 0.36
AR P10275 2/20 0.36

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
SCHEMBL31613173 0.95 CDC7 (0.41) CDC7USP7ADORA2ATRPA1MTOR
SCHEMBL30896370 0.79 SCN9A (0.38) TRPA1CCNCCDK8AR
SCHEMBL15345075 0.79 TRPA1 (0.48) CDC7USP7TRPA1DYRK1ACLK1
SCHEMBL30896399 0.77 PIK3CD (0.46) IRAK4GRM2
SCHEMBL680695 0.77 AXL (0.41) CDC7USP7TRPA1IRAK4GRM2
SCHEMBL30896383 0.77 ADORA2A (0.47) ADORA2AMTORDYRK1APIK3CBNFATC1
SCHEMBL31613166 0.76 TRPA1 (0.37) TRPA1CCNCCDK8AR
SCHEMBL31613172 0.76 KDM4E (0.44) MTORDYRK1APIK3CBNFATC1CLK1
SCHEMBL30896379 0.75 PIK3CD (0.41) IRAK4GRM2
SCHEMBL30896396 0.75 ATAD2 (0.49) CDC7MTORDYRK1APIK3CBIRAK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612128-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES Bristol-Myers Squibb Company (US) 2025-09-10 EP disclosed
CN-120129677-A Compounds and their use for the treatment of heme lesions 百时美施贵宝公司 2025-06-10 CN disclosed
WO-2024097932-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF HEMOGLOBINOPATHIES BRISTOL-MYERS SQUIBB COMPANY (US) 2024-05-10 WO disclosed