SCHEMBL4725075

SCHEMBL4725075

COc1c(C(=O)Nc2cnc(C)c(-c3ccc(C(=O)NCC(C)(C)C)cc3)c2)cc(C(C)(C)C)cc1-c1cnoc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 2/20 0.35
F2 P00734 1/20 0.35
F9 P00740 1/20 0.35
F10 P00742 1/20 0.35
PLAU P00749 1/20 0.35
F11 P03951 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
POLQ O75417 1/20 0.35
RAF1 P04049 16/20 0.35
BRAF P15056 16/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4726702 0.86 PTPN1 (0.38) F7F2F9F10PLAU
SCHEMBL4729468 0.84 RAF1 (0.36) RAF1BRAF
SCHEMBL4728030 0.84 MAPK14 (0.42) POLQRAF1BRAFTP53MAPT
SCHEMBL4730567 0.83 TRPV1 (0.40) F7F2F9F10PLAU
SCHEMBL4781974 0.81 PSEN1 (0.39) POLQRAF1BRAF
SCHEMBL4780832 0.80 LMNA (0.42) RAF1BRAFMAPT
SCHEMBL4780311 0.80 KDM4E (0.38) RAF1BRAFMAPT
SCHEMBL4726226 0.79 RAF1 (0.46) RAF1BRAFTP53SMN1; SMN2
SCHEMBL4784063 0.79 RAF1 (0.36) POLQRAF1BRAF
SCHEMBL4726266 0.79 RAF1 (0.35) F7F2F9F10PLAU

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-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed