SCHEMBL22089936

SCHEMBL22089936

COC1CCC(c2n[nH]cc2[N+](=O)[O-])CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TXNRD1 Q16881 3/20 0.33
PARP1 P09874 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2554448 0.88 GPR35 (0.33) TXNRD1LMNAALDH1A1TDP1
SCHEMBL22572956 0.82 ALDH1A1 (0.34) TXNRD1LMNAALDH1A1
SCHEMBL4539279 0.79 MAPT (0.38) TXNRD1LMNAALDH1A1
SCHEMBL22089675 0.76 JAK2 (0.36) JAK2JAK1TYK2JAK3PARP1
SCHEMBL22572955 0.73 MAPT (0.33) TXNRD1
SCHEMBL28899995 0.73 TXNRD1 (0.34) TXNRD1
SCHEMBL22090173 0.71 TXNRD1 (0.36) TXNRD1ALDH1A1
SCHEMBL28313397 0.71 TSHR (0.46) LMNAALDH1A1TDP1
SCHEMBL24791181 0.70 JAK2 (0.36) JAK2JAK1TYK2JAK3TXNRD1
SCHEMBL21617679 0.66 TXNRD1 (0.58) JAK2TXNRD1

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-3877381-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF Lynk Pharmaceuticals Co. Ltd. (CN) 2021-09-15 EP disclosed
WO-2020119819-A1 BENZAMIDES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2020-06-18 WO disclosed