SCHEMBL3035100

SCHEMBL3035100

c1cc(-c2ccc3nc(Nc4ccc(CNCCN5CCOCC5)cc4)ncc3c2)ccn1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 18/20 0.67
▸ RAF1 P04049 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47

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
SCHEMBL3041756 0.81 MYLK4 (0.62) BRAF
SCHEMBL3034030 0.75 BRAF (0.68) BRAFRAF1
SCHEMBL25881484 0.73 MYLK4 (0.48) BRAF
SCHEMBL5132890 0.73 BRAF (0.61) BRAFRAF1
SCHEMBL12639583 0.73 AURKA (0.57) CYP3A4CYP2D6CYP2C19
SCHEMBL17047495 0.72 BRAF (0.63) BRAFRAF1
SCHEMBL5129995 0.72 BRAF (0.77) BRAFRAF1
SCHEMBL12305275 0.71 AURKA (0.64) CYP3A4CYP2C19
SCHEMBL5133168 0.71 BRAF (0.84) BRAFRAF1
SCHEMBL3042216 0.71 BRAF (0.68) BRAFRAF1

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
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 — — 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF BRAF 1/4885RAF1 2/4885CYP3A4 1522/4885

“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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