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Sugi Predict / Compounds / SCHEMBL14017378

SCHEMBL14017378

SCHEMBL14017378

CCOC(=O)c1cn2ncc(C#N)c(Oc3ccc(NC(=O)OCc4ccccc4)cc3F)c2c1C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 17/20 0.60
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL4905542 0.90 MAP2K1 (0.47) MAP2K1PTGDR2
SCHEMBL4910453 0.89 MAP2K1 (0.47) MAP2K1PTGDR2
SCHEMBL4913711 0.88 MAP2K1 (0.63) MAP2K1EGFRERBB2
SCHEMBL4907892 0.88 MAP2K1 (0.60) MAP2K1
SCHEMBL4916324 0.87 MAP2K1 (0.43) MAP2K1PTGDR2
SCHEMBL4912151 0.87 MAP2K1 (0.56) MAP2K1
SCHEMBL4907775 0.81 MAP2K1 (0.64) MAP2K1
SCHEMBL4908570 0.81 MET (0.53) MAP2K1
SCHEMBL4904867 0.79 MAP2K1 (0.60) MAP2K1
SCHEMBL3692161 0.77 MAP2K1 (0.96) MAP2K1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed