SCHEMBL29050806

SCHEMBL29050806

Sc1cccc(Nc2ccncn2)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.43
JAK2 O60674 2/20 0.40
TYK2 P29597 2/20 0.40
JAK1 P23458 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
MKNK1 Q9BUB5 8/20 0.38
MKNK2 Q9HBH9 8/20 0.38
MEN1 O00255 1/20 0.37
MAPK10 P53779 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
EIF4E P06730 1/20 0.35
ACP1 P24666 1/20 0.35
MPL P40238 1/20 0.35
GSK3A P49840 1/20 0.35
CDK9 P50750 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
SCHEMBL30082296 0.83 MKNK1 (0.42) KDRJAK2TYK2JAK1CCNA2
SCHEMBL27868737 0.81 MKNK1 (0.41) KDRJAK2TYK2JAK1CCNA2
SCHEMBL29603900 0.78 KDM4E (0.48) KDRJAK2TYK2JAK1CCNA2
SCHEMBL24181594 0.78 KDM4E (0.48) KDRJAK2TYK2JAK1CCNA2
SCHEMBL27564107 0.77 JAK2 (0.46) KDRJAK2TYK2JAK1MKNK1
SCHEMBL29050797 0.77 ADRA2A (0.56) KDRJAK2TYK2JAK1CCNA2
SCHEMBL30053750 0.77 ADRA2A (0.56) KDRJAK2TYK2JAK1CCNA2
SCHEMBL24181659 0.75 PLAU (0.42) KDRJAK2TYK2MEN1MAPK10
SCHEMBL30082269 0.75 P2RX7 (0.50) MEN1KMT2AGSK3A
SCHEMBL29050804 0.75 P2RX7 (0.50) MEN1KMT2AGSK3A

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-115340559-A Preparation and application of SHP2 phosphatase heterocyclic inhibitor 药雅科技(上海)有限公司 2022-11-15 CN disclosed