SCHEMBL28242264

SCHEMBL28242264

COc1ccc(CNc2ncncc2SC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.52
▸ POLB P06746 2/20 0.52
▸ NR2F2 P24468 1/20 0.52
▸ CCNB2 O95067 2/20 0.50
▸ CDK1 P06493 2/20 0.50
▸ CCNB1 P14635 2/20 0.50
▸ CCNB3 Q8WWL7 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 4/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ TSHR P16473 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10875900 0.81 EGFR (0.54) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL32669328 0.77 EGFR (0.51) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL32669313 0.76 CDK1 (0.51) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL18786736 0.75 HTT (0.56) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL27429524 0.75 VNN1 (0.61) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL5605226 0.73 RAB9A (0.58) EGFRPOLBNR2F2MEN1KMT2A
SCHEMBL27088969 0.71 CCNE2 (0.46) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL27088974 0.71 CCNE2 (0.46) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL29998666 0.71 CCNE2 (0.46) EGFRPOLBNR2F2CCNB2CDK1
SCHEMBL7951301 0.70 VNN1 (0.50) EGFRPOLBNR2F2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602805-A Isoindoline, azaisoindoline, indenone and the dihydro azepine indone inhibitor of MNK1 and MNK2 效应治疗股份有限公司 2018-09-28 — — CN disclosed
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