SCHEMBL31455160

SCHEMBL31455160

Cc1c(N)ccc(NC(=O)OC(C)(C)C)c1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.43
KCNQ4 P56696 3/20 0.39
KCNQ5 Q9NR82 3/20 0.39
CISD2 Q8N5K1 1/20 0.39
AAK1 Q2M2I8 5/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 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
SCHEMBL30739735 0.85 CYP17A1 (0.44) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL7008829 0.82 CYP17A1 (0.44) CYP17A1KCNQ4KCNQ5AAK1RXFP1
SCHEMBL30641931 0.81 CYP17A1 (0.40) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL24731578 0.81 CYP17A1 (0.40) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL29286688 0.81 RXFP1 (0.46) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL29448807 0.81 RXFP1 (0.46) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL10187654 0.80 CYP17A1 (0.43) CYP17A1KCNQ4KCNQ5RXFP1LMNA
SCHEMBL30641929 0.80 ATR (0.46) CYP17A1KCNQ4KCNQ5CISD2RXFP1
SCHEMBL24730477 0.80 ATR (0.46) CYP17A1KCNQ4KCNQ5CISD2RXFP1
SCHEMBL31607582 0.79 CYP17A1 (0.43) CYP17A1KCNQ4KCNQ5CISD2AAK1

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed