SCHEMBL30956578

SCHEMBL30956578

O=C(O)c1ccccc1-c1nc(Nc2cnn(CCO)c2)ncc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.58
JAK1 P23458 11/20 0.58
JAK3 P52333 11/20 0.58
FLT4 P35916 1/20 0.55
KDR P35968 1/20 0.52
AURKB Q96GD4 1/20 0.52
HDAC3 O15379 5/20 0.51
HDAC1 Q13547 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
HDAC4 P56524 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
TYK2 P29597 3/20 0.50
CDK2 P24941 3/20 0.50
CDK7 P50613 3/20 0.50

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
SCHEMBL30956564 0.91 JAK2 (0.56) JAK2JAK1JAK3HDAC3HDAC1
SCHEMBL30956477 0.90 JAK3 (0.57) JAK2JAK1JAK3KDRAURKB
SCHEMBL30956456 0.89 MAP3K7 (0.58) JAK2JAK1JAK3FLT4HDAC3
SCHEMBL30956577 0.89 JAK2 (0.53) JAK2JAK1JAK3FLT4KDR
SCHEMBL30956440 0.88 JAK3 (0.57) JAK2JAK1JAK3TYK2
SCHEMBL30956429 0.87 JAK2 (0.47) JAK2JAK1JAK3FLT4KDR
SCHEMBL30956582 0.87 JAK2 (0.60) JAK2JAK1JAK3FLT4KDR
SCHEMBL22097897 0.83 JAK2 (0.52) JAK2JAK1JAK3FLT4KDR
SCHEMBL31557691 0.83 JAK2 (0.52) JAK2JAK1JAK3FLT4KDR
SCHEMBL30956523 0.82 JAK2 (0.54) JAK2JAK1JAK3FLT4KDR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118999-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-12-13 CN disclosed
CN-118955477-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-15 CN disclosed
CN-118903141-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-118903142-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-11-08 CN disclosed
CN-113227074-B Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-08-16 CN disclosed
CN-118388457-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-26 CN disclosed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed