SCHEMBL30896384

SCHEMBL30896384

Cc1cc(-c2cc3c(cc2N)N(C)C(=O)CC3)ccn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
CYP11B1 P15538 17/20 0.45
CYP11B2 P19099 17/20 0.45
CYP19A1 P11511 5/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.42
CYP17A1 P05093 1/20 0.42
BRD4 O60885 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
SCHEMBL31714299 0.85 ATAD2 (0.50) MAPK1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL31714397 0.85 MAPK1 (0.43) MAPK1BRD4
SCHEMBL31714434 0.84 MAPK1 (0.43) MAPK1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL31714626 0.81 PDE3B (0.38) MAPK1BRD4
SCHEMBL31714295 0.80 MAPT (0.42) MAPK1BRD4
SCHEMBL31714283 0.80 OTUD7B (0.35) MAPK1BRD4
SCHEMBL31714708 0.79 MAPK1 (0.38) MAPK1CYP11B2
SCHEMBL31714444 0.79 CYP11B2 (0.44) CYP11B1CYP11B2
SCHEMBL31714584 0.77 MAPK1 (0.43) MAPK1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL30896345 0.77 CYP11B1 (0.39) CYP11B1CYP11B2CYP19A1CYP3A4CYP1A2

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