SCHEMBL19331120

SCHEMBL19331120

Cc1c(C(=O)NC2(c3ccc(C(=O)O)cc3)CCOC2)[nH]c2ccc(Cl)c(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 9/20 0.47
▸ WDR91 A4D1P6 5/20 0.37
▸ PDE2A O00408 1/20 0.35
▸ P2RX7 Q99572 2/20 0.34
▸ PTGER4 P35408 2/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ CDK2 P24941 1/20 0.33

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
SCHEMBL19331081 0.89 PHGDH (0.50) PHGDHWDR91PDE2AP2RX7EGFR
SCHEMBL19331026 0.87 PHGDH (0.36) PHGDHWDR91PDE2AP2RX7
SCHEMBL19331147 0.87 PHGDH (0.42) PHGDHWDR91PDE2A
SCHEMBL19330953 0.86 PHGDH (0.41) PHGDHPDE2AP2RX7EGFRCDK2
SCHEMBL19331265 0.86 PHGDH (0.35) PHGDHWDR91PDE2AP2RX7
SCHEMBL19330944 0.84 PHGDH (0.36) PHGDHPDE2AP2RX7
SCHEMBL19331383 0.84 PHGDH (0.44) PHGDHWDR91
SCHEMBL19331111 0.84 PHGDH (0.37) PHGDHPDE2AEGFRCDK2
SCHEMBL19331329 0.82 PHGDH (0.42) PHGDHP2RX7EGFRCDK2
SCHEMBL19330987 0.81 PHGDH (0.35) PHGDHPDE2AP2RX7

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
EP-3426243-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF Raze Therapeutics Inc. (US) 2019-01-16 — — EP disclosed
WO-2017156165-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 — — WO disclosed
Send feedback