SCHEMBL4780823

SCHEMBL4780823

COc1c(F)cc(N2CCOCC2)cc1Nc1cnc(C)c(-n2cc(C(=O)NCC3CCCO3)nn2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
TNK2 Q07912 1/20 0.37
GLS O94925 2/20 0.37
DHODH Q02127 1/20 0.36
BRD4 O60885 1/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
WDR5 P61964 1/20 0.35
MEN1 O00255 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL4780831 0.91 TNK2 (0.39) ACKR3TNK2GLSDHODHKMT2A
SCHEMBL4782951 0.86 BRAF (0.37) KMT2AWDR5BRAF
SCHEMBL4779984 0.86 ACKR3 (0.41) ACKR3TNK2GLSHPGDALDH1A1
SCHEMBL4781496 0.85 ACKR3 (0.40) ACKR3TNK2GLSKMT2AHPGD
SCHEMBL4783075 0.83 PLAU (0.42) ACKR3BRAF
SCHEMBL4783406 0.82 RXFP1 (0.40) DHODHALDH1A1
SCHEMBL4783684 0.82 ACKR3 (0.40) ACKR3GLSKMT2AHPGDALDH1A1
SCHEMBL4781500 0.82 PLAU (0.41) ACKR3BRAF
SCHEMBL4936382 0.79 HPGD (0.41) ACKR3GLSDHODHHPGDALDH1A1
SCHEMBL4783689 0.79 ACKR3 (0.39) ACKR3DHODHKMT2AHPGDBRAF

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