SCHEMBL30956471

SCHEMBL30956471

COC(=O)c1ccc(-c2nc(Nc3cnn(C4CCCCN4C(=O)OCc4ccccc4)c3)ncc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK7 P50613 2/20 0.41
▸ CDK9 P50750 2/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ CPT1A P50416 1/20 0.39
▸ PAK1 Q13153 3/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ KDR P35968 5/20 0.38
▸ FLT4 P35916 4/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ FLT3 P36888 1/20 0.37

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
SCHEMBL30956580 0.92 CPT1A (0.39) IGF1RCPT1AJAK3JAK2JAK1
SCHEMBL28606139 0.90 IGF1R (0.45) IGF1RCDK1CDK7CDK9CDK2
SCHEMBL30956589 0.87 CDK2 (0.40) IGF1RCDK1CDK7CDK9CDK2
SCHEMBL27059362 0.86 IGF1R (0.53) IGF1RCDK1CDK7CDK9CDK2
SCHEMBL22098023 0.83 IGF1R (0.48) IGF1RCDK1CDK7CDK9CDK2
SCHEMBL30956382 0.82 JAK2 (0.53) CDK9CDK2HDAC1JAK3JAK2
SCHEMBL27059360 0.80 IGF1R (0.53) IGF1RCDK1CDK7CDK9CDK2
SCHEMBL31557690 0.80 IGF1R (0.53) IGF1RCDK1CDK7CDK9CDK2
SCHEMBL30891589 0.79 GFER (0.39) IGF1RKCNH2JAK3JAK2JAK1
SCHEMBL30956584 0.79 JAK2 (0.41) IGF1RCDK2JAK3JAK2JAK1

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
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