SCHEMBL30956403

SCHEMBL30956403

COC(=O)c1ncccc1-c1nc(Cl)ncc1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
SMO Q99835 2/20 0.39
BTK Q06187 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
METAP2 P50579 2/20 0.37
HPGD P15428 1/20 0.36
TDP2 O95551 1/20 0.36
MAP2K1 Q02750 1/20 0.35
S100A4 P26447 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL30956555 0.88 L3MBTL1 (0.45) RPS6KA5L3MBTL1SMOALOX15HTT
SCHEMBL30956413 0.81 SLC6A3 (0.51) RPS6KA5BTKALDH1A1POLB
SCHEMBL69177 0.78 L3MBTL1 (0.64) L3MBTL1ALOX15HTTALDH1A1HPGD
SCHEMBL22290177 0.77 L3MBTL1 (0.53) L3MBTL1ALOX15HTTALDH1A1HPGD
SCHEMBL30956592 0.77 MRGPRX4 (0.41) RPS6KA5BTKHTTALDH1A1NPSR1
SCHEMBL287063 0.75 L3MBTL1 (0.60) L3MBTL1ALOX15HTTALDH1A1HPGD
SCHEMBL22366819 0.75 NPSR1 (0.48) L3MBTL1HTTALDH1A1POLBNPSR1
SCHEMBL30775035 0.75 L3MBTL1 (0.53) L3MBTL1SMOALOX15HTTALDH1A1
SCHEMBL699223 0.74 L3MBTL1 (0.58) L3MBTL1ALOX15HTTALDH1A1HPGD
SCHEMBL5517057 0.73 SLC6A3 (0.59) L3MBTL1ALDH1A1METAP2NPSR1TDP1

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