SCHEMBL28890932

SCHEMBL28890932

Nc1ncnc(NC2CC2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.42
MAP4K4 O95819 2/20 0.40
IRAK4 Q9NWZ3 5/20 0.40
CHRM4 P08173 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
EGFR P00533 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
PAK1 Q13153 1/20 0.38
BTK Q06187 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL14241102 0.78 BTK (0.34) HPGDSIRAK4CHRM4EGFRBTK
SCHEMBL23555498 0.78 IRAK4 (0.44) HPGDSMAP4K4IRAK4CYP3A4EGFR
SCHEMBL767164 0.78 HPGDS (0.42) HPGDSMAP4K4IRAK4CHRM4CYP3A4
SCHEMBL19005056 0.77 HPGDS (0.40) HPGDSMAP4K4IRAK4EGFRLMNA
SCHEMBL18557416 0.75 GPR119 (0.56) MAP4K4IRAK4HTTBTK
SCHEMBL14165818 0.74 IRAK1 (0.41) LMNABTK
SCHEMBL14165369 0.74 IRAK1 (0.41) LMNABTK
SCHEMBL29740638 0.74 IRAK1 (0.41) LMNABTK
SCHEMBL14165368 0.74 IRAK1 (0.41) LMNABTK
SCHEMBL14165782 0.74 IRAK1 (0.41) LMNABTK

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
CN-111253397-B MNK inhibitors 上海迪诺医药科技有限公司 2023-11-14 CN disclosed
CN-111253397-A MNK inhibitors 上海迪诺医药科技有限公司 2020-06-09 CN disclosed