SCHEMBL27369814

SCHEMBL27369814

IN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.82
▸ FLT3 P36888 19/20 0.82
▸ CCNA2 P20248 14/20 0.82
▸ CDK2 P24941 14/20 0.82
▸ CCNA1 P78396 14/20 0.82
▸ ROCK2 O75116 1/20 0.82
▸ CCNK O75909 1/20 0.82
▸ STK10 O94804 1/20 0.82
▸ PRKD3 O94806 1/20 0.82
▸ ABL1 P00519 1/20 0.82
▸ EGFR P00533 1/20 0.82
▸ PRKCB P05771 1/20 0.82
▸ CDK1 P06493 1/20 0.82
▸ RET P07949 1/20 0.82
▸ CYP2D6 P10635 1/20 0.82
▸ CCNB1 P14635 1/20 0.82
▸ FER P16591 1/20 0.82
▸ PRKCA P17252 1/20 0.82
▸ ERCC2 P18074 1/20 0.82
▸ CSNK2A2 P19784 1/20 0.82

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
Zotiraciclib SCHEMBL29392459 0.90 FLT3 (1.00) JAK2FLT3CCNA2CDK2CCNA1
Zotiraciclib SCHEMBL29358903 0.90 FLT3 (1.00) JAK2FLT3CCNA2CDK2CCNA1
Zotiraciclib SCHEMBL30776189 0.90 FLT3 (1.00) JAK2FLT3CCNA2CDK2CCNA1
Zotiraciclib SCHEMBL17595943 0.90 FLT3 (1.00) JAK2FLT3CCNA2CDK2CCNA1
Zotiraciclib SCHEMBL823947 0.90 FLT3 (1.00) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL24710255 0.88 JAK2 (0.79) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL824018 0.88 JAK2 (1.00) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL824041 0.87 JAK2 (1.00) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL1108232 0.86 JAK2 (1.00) JAK2FLT3CCNA2CDK2CCNA1
SCHEMBL1108229 0.86 JAK2 (1.00) JAK2FLT3CCNA2CDK2CCNA1

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
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 — — WO disclosed
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