SCHEMBL5315816

SCHEMBL5315816

Cc1cc(Nc2nc(N3C[C@@H]4C(NC(=O)NC(C)C)[C@@H]4C3)nc3ncccc23)n(C(=O)O)n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 3/20 0.32
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HCRTR1 O43613 4/20 0.31
▸ HCRTR2 O43614 4/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MCHR1 Q99705 1/20 0.31

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
SCHEMBL4522897 0.91 HCRTR1 (0.34) CCR4HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL5262877 0.84 HCRTR1 (0.32) CCR4ABCG2MAPTHCRTR1HCRTR2
SCHEMBL4515212 0.82 CCR4 (0.35) CCR4HCRTR1HCRTR2KDM4EMCHR1
SCHEMBL5315372 0.81 HCRTR1 (0.37) HPGDRAB9ASMN1; SMN2ABCG2MAPT
SCHEMBL4532654 0.81 HCRTR1 (0.37) HPGDRAB9ASMN1; SMN2ABCG2MAPT
SCHEMBL4526388 0.78 HCRTR1 (0.34) HPGDRAB9ASMN1; SMN2MAPTHCRTR1
SCHEMBL4511494 0.78 HCRTR1 (0.34) CCR4HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL4526026 0.77 HCRTR2 (0.35) CCR4HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL4513370 0.71 ABCG2 (0.36) CCR4ABCG2HCRTR1HCRTR2
SCHEMBL4512965 0.68 AXL (0.35) CCR4HCRTR1HCRTR2

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-1831216-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2007-09-12 — — EP disclosed
WO-2006067614-A2 HETEROAROMATIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2006-06-29 — — WO disclosed
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