SCHEMBL31508334

SCHEMBL31508334

CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Ru+3]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
KIF11 P52732 2/20 0.39
METAP2 P50579 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KDM4C Q9H3R0 3/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM4E B2RXH2 3/20 0.35
KDM6B O15054 2/20 0.35
KDM5C P41229 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
KDM3A Q9Y4C1 2/20 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
SCHEMBL29518805 1.00 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
SCHEMBL347025 0.98 CCR1 (0.48) CCR1CCR5CCR8KIF11METAP2
SCHEMBL29373631 0.98 CCR1 (0.48) CCR1CCR5CCR8KIF11METAP2
SCHEMBL29453375 0.98 CCR1 (0.48) CCR1CCR5CCR8KIF11METAP2
SCHEMBL23459202 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
SCHEMBL117845 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
SCHEMBL2783812 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
SCHEMBL335953 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
Hydrochloric Acid SCHEMBL30917887 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
Lithium SCHEMBL31260758 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2

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
CN-111584720-B Organic light emitting device and electronic apparatus including the same 三星显示有限公司 2025-06-10 CN disclosed
CN-119547590-A Charge transport composite, high resolution patterning method of charge transport layer comprising same, charge transport layer composition comprising same, and organic light emitting device comprising same 汉阳大学校产学协力团 2025-02-28 CN disclosed