SCHEMBL18238764

SCHEMBL18238764

CC(C)(O)COc1cnc2[nH]cc(C=CC(N)=O)c2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP3K7 O43318 18/20 0.60
▸ TAB1 Q15750 18/20 0.60
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL16948727 1.00 MAP3K7 (0.60) MAP3K7TAB1MTNR1AMTNR1BMEN1
SCHEMBL16949265 0.92 MAP3K7 (0.59) MAP3K7TAB1MTNR1AMTNR1BMEN1
SCHEMBL18238757 0.92 MAP3K7 (0.59) MAP3K7TAB1MTNR1AMTNR1BMEN1
SCHEMBL16945169 0.88 MAP3K7 (0.54) MAP3K7TAB1
SCHEMBL18238366 0.88 MAP3K7 (0.54) MAP3K7TAB1
SCHEMBL18238117 0.83 MAP3K7 (0.53) MAP3K7TAB1
SCHEMBL16945198 0.83 MAP3K7 (0.53) MAP3K7TAB1
SCHEMBL16932976 0.81 MAP3K7 (0.58) MAP3K7TAB1MTNR1AMTNR1B
SCHEMBL16932974 0.81 MAP3K7 (0.58) MAP3K7TAB1MTNR1AMTNR1B
SCHEMBL18238473 0.80 MAP3K7 (0.41) MAP3K7TAB1MEN1ALDH1A1MAPT

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-9499551-B2 Substituted pyrrolo[2,3-b]pyridines for treating cancer or inflammatory diseases CONFLUENCE LIFE SCIENCES, INC. (US) 2016-11-22 — — US disclosed
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