SCHEMBL31078611

SCHEMBL31078611

Cc1nc(O[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.45
BTK Q06187 3/20 0.43
ROCK2 O75116 1/20 0.42
HSD11B1 P28845 2/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
JAK1 P23458 2/20 0.34
CTSK P43235 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL31078480 0.93 ROCK2 (0.43) PIK3CDBTKROCK2HSD11B1KDM1A
SCHEMBL23382311 0.84 ROCK2 (0.40) PIK3CDBTKROCK2HSD11B1KDM1A
Lithium Ion SCHEMBL31078781 0.83 HSD11B1 (0.42) PIK3CDBTKROCK2HSD11B1KDM1A
SCHEMBL31078544 0.83 ROCK2 (0.54) PIK3CDROCK2HSD11B1KDM1AMAOB
SCHEMBL31078511 0.78 L3MBTL1 (0.39) PIK3CDROCK2HSD11B1L3MBTL1
SCHEMBL26180337 0.76 PIK3CD (0.51) PIK3CDBTKKDM1AMAOBCKS1B
SCHEMBL25583498 0.75 ROCK2 (0.54) ROCK2HSD11B1
SCHEMBL23587351 0.73 HSD11B1 (0.42) ROCK2HSD11B1L3MBTL1
SCHEMBL31078549 0.71 HSD11B1 (0.43) ROCK2HSD11B1L3MBTL1
SCHEMBL30800446 0.71 KDM1A (0.42) PIK3CDBTKKDM1AMAOBL3MBTL1

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-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed