SCHEMBL31258695

SCHEMBL31258695

CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)ccn2)c1.[Ni+2]

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
ALOX5AP P20292 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
SYK P43405 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
Hydrochloric Acid SCHEMBL23538061 1.00 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
Hydrochloric Acid SCHEMBL30917887 1.00 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
Bromide SCHEMBL29619590 0.98 CCR1 (0.44) CCR1CCR5CCR8KIF11METAP2
SCHEMBL347025 0.98 CCR1 (0.48) CCR1CCR5CCR8KIF11METAP2
SCHEMBL29373631 0.98 CCR1 (0.48) CCR1CCR5CCR8KIF11METAP2
SCHEMBL29453375 0.98 CCR1 (0.48) CCR1CCR5CCR8KIF11METAP2
SCHEMBL117845 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
SCHEMBL2783812 0.95 CCR1 (0.46) CCR1CCR5CCR8KIF11METAP2
SCHEMBL335953 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120202211-A Cyclic compounds having selective KRAS inhibition over HRAS and NRAS 中外制药株式会社 2025-06-24 CN disclosed
CN-119823103-A Polycyclic derivative inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2025-04-15 CN disclosed
CN-118974035-A 2-Aminoimidazole derivatives as PRMT5 inhibitors 米拉蒂医疗股份有限公司 2024-11-15 CN disclosed