SCHEMBL24196372

SCHEMBL24196372

CC(C)(C)OC(=O)Nc1cc(C(C)(C)C)ncc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.42
SYK P43405 1/20 0.42
RORC P51449 4/20 0.41
AAK1 Q2M2I8 3/20 0.39
MAPK14 Q16539 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
METAP1 P53582 1/20 0.37
BRAF P15056 1/20 0.37
P2RX3 P56373 1/20 0.36
KCNQ4 P56696 1/20 0.36
KCNQ5 Q9NR82 1/20 0.36
ATR Q13535 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL16992932 0.85 CYP17A1 (0.44) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL3344049 0.84 AAK1 (0.45) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL14923617 0.84 CYP17A1 (0.43) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL23483654 0.83 CYP17A1 (0.42) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL29918800 0.83 CYP17A1 (0.42) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL24195797 0.82 ASPH (0.46) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL24195944 0.81 CYP17A1 (0.41) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL24196208 0.81 CYP17A1 (0.41) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL24195947 0.81 AAK1 (0.41) CYP17A1SYKRORCAAK1RXFP1
SCHEMBL24195800 0.81 ATR (0.42) CYP17A1SYKRORCRXFP1ATR

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-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed
WO-2022011274-A1 SUBSTITUTED 1,6-NAPHTHYRIDINE INHIBITORS OF CDK5 GOLDFINCH BIO, INC. (US) 2022-01-13 WO disclosed