SCHEMBL13336279

SCHEMBL13336279

Cn1cc(-c2cc(Nc3ncc4cc(Br)cc(F)c4n3)cc(OCCN3CCC3)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.41
▸ SRC P12931 5/20 0.39
▸ BRAF P15056 1/20 0.39
▸ GSK3B P49841 2/20 0.38
▸ DYRK1A Q13627 2/20 0.38
▸ SYK P43405 3/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ CDK2 P24941 3/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ TTK P33981 1/20 0.38
▸ YES1 P07947 2/20 0.37
▸ KDR P35968 1/20 0.37
▸ EPHB4 P54760 1/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ TAB1 Q15750 1/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ BACE1 P56817 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
SCHEMBL13336281 0.90 CDK2 (0.40) AXLCDK2CCNA2TTKJAK3
SCHEMBL13336309 0.87 CHEK1 (0.44) GSK3BDYRK1ACLK2CLK3CDK2
SCHEMBL13336307 0.85 PDK2 (0.42) AXLGSK3BDYRK1ASYKCDK2
SCHEMBL13336128 0.83 GSK3B (0.43) AXLGSK3BDYRK1ASYKCLK2
SCHEMBL13336161 0.81 MAP4K3 (0.42) GSK3BDYRK1ACLK2CLK3CDK2
SCHEMBL13336284 0.80 CDK2 (0.40) CDK2CCNA2TTKJAK3JAK1
SCHEMBL13336175 0.79 JAK1 (0.41) CDK2CCNA2TTKJAK3JAK1
SCHEMBL13336122 0.78 CHEK1 (0.47) AXLGSK3BDYRK1ASYKJAK3
SCHEMBL13336280 0.77 CDK2 (0.39) CDK2CCNA2TTKJAK3JAK1
SCHEMBL13363267 0.76 BRAF (0.54) AXLSRCBRAFSYKYES1

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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 AXL 4555/4885SRC 1021/4885BRAF 208/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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