Sugi Predict

Sugi Predict / Compounds / SCHEMBL25879561

SCHEMBL25879561

SCHEMBL25879561

CNC(=O)c1cc(Nc2ncc3cc(C)ccc3n2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.45
▸ MAP3K5 Q99683 2/20 0.43
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL25881870 0.91 ALDH1A1 (0.41) BRAFMAP3K5CCNCCDK8AURKA
SCHEMBL25879708 0.88 BRAF (0.52) BRAFMAP3K5
SCHEMBL25879550 0.86 MAP3K5 (0.54) BRAFMAP3K5CCNCCDK8AURKA
SCHEMBL30512112 0.86 MAP3K5 (0.54) BRAFMAP3K5CCNCCDK8AURKA
SCHEMBL25879551 0.86 BRAF (0.59) BRAFMAP3K5
SCHEMBL30512129 0.86 BRAF (0.59) BRAFMAP3K5
SCHEMBL30512135 0.85 BRAF (0.43) BRAFMAP3K5
SCHEMBL25879705 0.85 BRAF (0.43) BRAFMAP3K5
SCHEMBL25879555 0.85 BRAF (0.55) BRAF
SCHEMBL25882124 0.84 MAP3K5 (0.63) BRAFMAP3K5

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
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 — — WO disclosed
WO-2023138412-A1 FUSED PYRIMIDIN-2-AMINE COMPOUNDS AS CDK20 INHIBITORS INSILICO MEDICINE IP LIMITED (CN) 2023-07-27 — — WO disclosed