SCHEMBL14047859

SCHEMBL14047859

Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)c1ccc(S)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTHFD2 P13995 7/20 0.45
▸ MAOB P27338 1/20 0.38
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ P2RX7 Q99572 2/20 0.37
▸ MTOR P42345 1/20 0.36
▸ PRLHR P49683 3/20 0.36

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
SCHEMBL13249831 0.93 MTHFD2 (0.46) MTHFD2MAOBCDK4CCND1GRM5
SCHEMBL13249858 0.90 PRLHR (0.45) MTHFD2GRM5P2RX7PRLHR
SCHEMBL13249874 0.89 MTHFD2 (0.43) MTHFD2MAOBCDK4CCND1GRM5
SCHEMBL13249859 0.89 USP2 (0.49) MTHFD2CDK4CCND1GRM5PRLHR
SCHEMBL13249851 0.88 GRM5 (0.44) MTHFD2GRM5PRLHR
SCHEMBL13250445 0.88 P2RX7 (0.45) MTHFD2P2RX7PRLHR
SCHEMBL13250446 0.85 PRLHR (0.47) MTHFD2P2RX7PRLHR
SCHEMBL13249840 0.85 MTHFD2 (0.39) MTHFD2MAOBGRM5P2RX7MTOR
SCHEMBL13249850 0.85 MTHFD2 (0.39) MTHFD2MAOBGRM5P2RX7MTOR
SCHEMBL13249829 0.84 KMT2A (0.44) GRM5P2RX7

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-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 — — WO disclosed
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