SCHEMBL31455161

SCHEMBL31455161

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3nc(C4CCCCC4)ccc3N)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ABL1 P00519 2/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL31455455 0.99 KMT2A (0.45) KMT2AMEN1ABL1NPC1RAB9A
SCHEMBL31455390 0.83 HDAC2 (0.56) ABL1NPC1RAB9AWNT1GSK3B
SCHEMBL31455231 0.72 KDR (0.46) KMT2AMEN1ABL1NPC1RAB9A
SCHEMBL31455084 0.69 MAPT (0.39) KMT2AMEN1ABL1NPC1RAB9A
SCHEMBL31455494 0.69 HDAC1 (0.44) KMT2AABL1NPC1RAB9AMAPT
SCHEMBL31455333 0.69 MAPT (0.38) KMT2AMEN1ABL1NPC1RAB9A
SCHEMBL374880 0.68 ABL1 (0.54) KMT2AABL1NPC1RAB9AALDH1A1
SCHEMBL374881 0.68 ABL1 (0.54) KMT2AABL1NPC1RAB9AALDH1A1
SCHEMBL13702043 0.68 NPC1 (0.63) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL3056248 0.67 NPC1 (0.55) KMT2AMEN1ABL1NPC1RAB9A

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