SCHEMBL31455017

SCHEMBL31455017

COC(=O)C1CCN(C(=O)Nc2ccc(Nc3nc(-c4ccccc4)ccc3N)cc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HDAC1 Q13547 5/20 0.44
HDAC2 Q92769 5/20 0.44
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 2/20 0.40
OPRM1 P35372 1/20 0.39
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
PAK1 Q13153 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL31455366 0.88 ALDH1A1 (0.61) ALDH1A1HDAC1HDAC2TDP1MEN1
SCHEMBL31455362 0.87 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL31455623 0.83 ALDH1A1 (0.53) ALDH1A1HDAC1HDAC2TDP1MEN1
SCHEMBL31455427 0.77 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL31455275 0.76 BRD9 (0.43) HDAC1HDAC2MEN1KMT2ASMN1; SMN2
SCHEMBL31455364 0.75 ADORA1 (0.42) HDAC1HDAC2MEN1KMT2ANPC1
SCHEMBL31455342 0.75 ALDH1A1 (0.57) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL31455694 0.74 HDAC1 (0.46) ALDH1A1HDAC1HDAC2TDP1SMN1; SMN2
SCHEMBL31455411 0.74 HDAC1 (0.46) ALDH1A1HDAC1HDAC2TDP1SMN1; SMN2
SCHEMBL31455225 0.74 NPC1 (0.44) ALDH1A1HDAC1MEN1KMT2ASMN1; SMN2

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