SCHEMBL4783689

SCHEMBL4783689

Cc1ncc(NC(=O)c2cc(C#N)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)NCC2CCCO2)nn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.39
BRAF P15056 9/20 0.38
RAF1 P04049 6/20 0.38
FASN P49327 1/20 0.38
USP30 Q70CQ3 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
NAMPT P43490 3/20 0.38
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
DHODH Q02127 1/20 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
SCHEMBL4783684 0.91 ACKR3 (0.40) ACKR3BRAFFASNUSP30EGLN1
SCHEMBL4783075 0.90 PLAU (0.42) ACKR3BRAFRAF1
SCHEMBL4781500 0.88 PLAU (0.41) ACKR3BRAFRAF1
SCHEMBL4782957 0.87 BRAF (0.42) ACKR3BRAFFASNEGLN1NAMPT
SCHEMBL4936382 0.86 HPGD (0.41) ACKR3BRAFNAMPTHPGDDHODH
SCHEMBL4779984 0.82 ACKR3 (0.41) ACKR3BRAFHPGD
SCHEMBL4780831 0.82 TNK2 (0.39) ACKR3BRAFRAF1KMT2ADHODH
SCHEMBL4778221 0.81 RAF1 (0.43) BRAFRAF1
SCHEMBL4781496 0.81 ACKR3 (0.40) ACKR3BRAFHPGDKMT2A
SCHEMBL4905087 0.80 DHODH (0.36) BRAFRAF1FASNHPGDKMT2A

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