SCHEMBL31455116

SCHEMBL31455116

COC(=O)C1CC2(C1)CN(Cc1ccc(Nc3nc(-c4ccccc4)ccc3N)cn1)C2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 11/20 0.35
HDAC1 Q13547 10/20 0.35
HDAC3 O15379 1/20 0.33
PIK3CA P42336 1/20 0.32
PIM1 P11309 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ZAP70 P43403 2/20 0.32
SYK P43405 2/20 0.32
PRKAA2 P54646 1/20 0.31

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
SCHEMBL31455407 0.87 GSK3B (0.35) ALDH1A1TDP1PDCD1LG2CD274
SCHEMBL31455206 0.78 CHRM2 (0.38) HDAC2HDAC1HDAC3PIK3CAPIM1
SCHEMBL31455186 0.73 AKT1 (0.57)
SCHEMBL31455366 0.72 ALDH1A1 (0.61) HDAC2HDAC1ALDH1A1TDP1
SCHEMBL31454994 0.72 TNIK (0.36) HDAC2HDAC1ALDH1A1
SCHEMBL31455120 0.71 PDE5A (0.43) HDAC2PIK3CAALDH1A1
SCHEMBL31455090 0.71 LTA4H (0.47) ALDH1A1CHRM2SYK
SCHEMBL31455623 0.69 ALDH1A1 (0.53) HDAC2HDAC1ALDH1A1TDP1
SCHEMBL31455390 0.69 HDAC2 (0.56) HDAC2HDAC1
SCHEMBL25385310 0.67 ABCG2 (0.61) ALDH1A1

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