SCHEMBL31002183

SCHEMBL31002183

CC(C)(O)c1cnc(Br)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.36
CYP11B1 P15538 10/20 0.36
MAOB P27338 1/20 0.35
CYP19A1 P11511 2/20 0.34
CYP2C9 P11712 1/20 0.34
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PIK3CA P42336 3/20 0.32
PIK3R1 P27986 2/20 0.32
MTOR P42345 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL665344 0.78 ALDH1A1 (0.38) RXRAGRIN1GRIN2B
SCHEMBL29438077 0.78 ALDH1A1 (0.38) RXRAGRIN1GRIN2B
SCHEMBL26152376 0.77 ALOX5AP (0.37) CYP11B2CYP11B1MAOBCYP19A1CYP2C9
SCHEMBL9264505 0.76
SCHEMBL2147947 0.74 HTT (0.33) CYP11B2CYP11B1KMT2A
SCHEMBL30758154 0.74 MAOB (0.36) CYP11B2CYP11B1MAOBCYP19A1TNKS
SCHEMBL1577316 0.72
SCHEMBL29520643 0.72
SCHEMBL26502673 0.71 ALOX15 (0.38) CYP11B2CYP11B1MAOBCYP19A1CYP2C9
SCHEMBL25372558 0.70 OGA (0.33)

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
EP-4655304-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS Yuhan Corporation (KR) 2025-12-03 EP disclosed
WO-2024177362-A1 MACROCYCLIC AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2024-08-29 WO disclosed