SCHEMBL8683634

SCHEMBL8683634

O=C(O)c1ccc2[nH]nc(C#CCNc3nccn3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 7/20 0.34
▸ MAP2K4 P45985 3/20 0.34
▸ MAPKAPK3 Q16644 3/20 0.34
▸ MAPK6 Q16659 3/20 0.34
▸ MAPK3 P27361 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.32

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
SCHEMBL4959983 0.73 ACSS2 (0.33) MAPK1
SCHEMBL8682497 0.72 KDM4E (0.39) MAPK1MAPK3
SCHEMBL14271520 0.69 SLC22A12 (0.36) —
SCHEMBL6752447 0.69 MAP2K4 (0.42) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL31581036 0.63 MAPK1 (0.47) MAPK1MAP2K4MAPKAPK3MAPK6MAPK3
SCHEMBL1758985 0.63 MAP2K4 (0.47) MAPK1MAP2K4MAPKAPK3MAPK6JAK2
SCHEMBL4388255 0.62 S1PR1 (0.40) —
SCHEMBL4960504 0.62 ACSS2 (0.38) —
SCHEMBL2866791 0.62 MAP2K4 (0.69) MAPK1MAP2K4MAPKAPK3MAPK6MAPK3
SCHEMBL2861172 0.62 LRRK2 (0.61) MAPK1MAP2K4MAPKAPK3MAPK6MAPK3

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-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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