SCHEMBL19090216

SCHEMBL19090216

C=C1NC(=O)N(Cc2ccc(C)cc2)c2nc(CSc3nc[nH]n3)n(C(=C)C)c21

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL19090593 0.86 BRD4 (0.34) —
SCHEMBL19090465 0.69 MEN1 (0.39) MEN1KMT2A
SCHEMBL19090232 0.68 NPC1 (0.43) —
SCHEMBL19090462 0.67 P2RX3 (0.35) MEN1KMT2A
SCHEMBL13870209 0.66 RECQL (0.54) MEN1KMT2A
SCHEMBL19090209 0.66 APOBEC3G (0.47) MEN1KMT2A
SCHEMBL19090553 0.65 SMN1; SMN2 (0.37) MEN1KMT2A
SCHEMBL19090464 0.64 P2RX3 (0.36) MEN1KMT2A
SCHEMBL19090547 0.64 SMN1; SMN2 (0.38) MEN1KMT2A
SCHEMBL19090323 0.64 BRD4 (0.47) MEN1KMT2A

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
WO-2017114843-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-07-06 — — WO disclosed
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