SCHEMBL13920216

SCHEMBL13920216

CC(=O)NCCNc1cc(NC(=O)CN2CCCN(Cc3cccc(Cl)c3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ ATM Q13315 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AVPR1B P47901 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SLC2A1 P11166 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL3165778 0.98 ALDH1A1 (0.49) ALDH1A1ATMFAAHMEN1KMT2A
Hydrochloric Acid SCHEMBL3175886 0.97 ALDH1A1 (0.48) ALDH1A1ATMFAAHMEN1KMT2A
SCHEMBL3156207 0.94 ALDH1A1 (0.48) ALDH1A1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL3163746 0.92 ALDH1A1 (0.50) ALDH1A1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL3165011 0.91 MEN1 (0.46) ALDH1A1FAAHMEN1KMT2ASMN1; SMN2
SCHEMBL3162253 0.90 ALDH1A1 (0.52) ALDH1A1ATMMEN1KMT2ASMN1; SMN2
SCHEMBL3171582 0.89 MEN1 (0.47) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL3170797 0.88 ACHE (0.46) ALDH1A1FAAHGAAMAPTSIGMAR1
SCHEMBL3156798 0.88 MEN1 (0.48) ALDH1A1FAAHMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL3169892 0.88 ACHE (0.46) ALDH1A1FAAHGAAMAPTSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US disclosed
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