SCHEMBL19013455

SCHEMBL19013455

C=C(N)c1ccc(Nc2nc3c(c(=O)n(Cc4cc5c(Cl)cccc5[nH]4)c(=O)n3C)n2C)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 2/20 0.62
▸ TP53 P04637 4/20 0.44
▸ POLB P06746 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ THRB P10828 1/20 0.40
▸ MAPT P10636 6/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18989914 0.93 MTHFD2 (0.65) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18990235 0.91 MTHFD2 (0.68) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18991164 0.89 MTHFD2 (0.64) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18990710 0.88 MTHFD2 (0.63) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18990788 0.88 MTHFD2 (0.65) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL19014110 0.88 MTHFD2 (0.59) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18990148 0.87 MTHFD2 (0.65) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18990126 0.86 MTHFD2 (0.63) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL18990567 0.86 MTHFD2 (0.68) MTHFD2TP53POLBMEN1KMT2A
SCHEMBL31423701 0.86 MTHFD2 (0.62) MTHFD2TP53POLBMEN1KMT2A

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-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 — — WO disclosed
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