SCHEMBL31006180

SCHEMBL31006180

COc1nc(N)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.49
SMARCA2 P51531 1/20 0.48
SMARCA4 P51532 1/20 0.48
PBRM1 Q86U86 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
PTPN11 Q06124 1/20 0.45
SMPD3 Q9NY59 1/20 0.44
PIK3CA P42336 2/20 0.43
GBA1 P04062 1/20 0.43
ALK Q9UM73 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
TLR9 Q9NR96 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL25189993 1.00 MAP4K4 (0.49) MAP4K4SMARCA2SMARCA4PBRM1ADORA2A
SCHEMBL16427591 0.88 POLB (0.46) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL30419540 0.88 POLB (0.46) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL20919447 0.85 BACE1 (0.46) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL30418929 0.85 MAP4K4 (0.51) MAP4K4SMARCA2SMARCA4PBRM1ADORA2A
SCHEMBL21698657 0.85 MAP4K4 (0.51) MAP4K4SMARCA2SMARCA4PBRM1ADORA2A
SCHEMBL30720173 0.84 CKS1B (0.47) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL27260592 0.84 CKS1B (0.47) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL31006176 0.84 MAP4K4 (0.50) MAP4K4SMARCA2SMARCA4PBRM1ADORA2A
SCHEMBL25314946 0.84 MAP4K4 (0.50) MAP4K4SMARCA2SMARCA4PBRM1ADORA2A

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
CN-118871445-A Fused triazinone derivatives and methods of use thereof 亚根达医疗公司 2024-10-29 CN disclosed
CN-118475571-A Degradation of Bruton Tyrosine Kinase (BTK) by conjugation of BTK inhibitors to E3 ligase ligands and methods of use 百济神州有限公司 2024-08-09 CN disclosed