SCHEMBL31435588

SCHEMBL31435588

CNC1CCCc2cc(-c3cnn(C)c3)sc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
CREBBP Q92793 2/20 0.36
LRRK2 Q5S007 1/20 0.36
KDM1A O60341 2/20 0.35
CHEK1 O14757 2/20 0.35
PIP4K2A P48426 1/20 0.34
PIP4K2B P78356 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
DYRK1A Q13627 2/20 0.34
KIT P10721 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
RAD52 P43351 1/20 0.34
NTRK1 P04629 1/20 0.34
FLT3 P36888 2/20 0.33
PIK3CA P42336 1/20 0.33
MAP4K3 Q8IVH8 1/20 0.32
MAP4K1 Q92918 1/20 0.32

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
SCHEMBL31435615 0.79 HDAC6 (0.36) HDAC6CREBBPKDM1ACHEK1PIP4K2A
SCHEMBL31435635 0.75 PIM1 (0.36) CREBBPLRRK2CHEK1PIK3CA
SCHEMBL31435585 0.73 HDAC6 (0.37) HDAC6CREBBPCHEK1PIP4K2APIP4K2B
SCHEMBL31435610 0.72 KDM1A (0.35) CREBBPLRRK2KDM1ADYRK1ADYRK1B
SCHEMBL31435611 0.69 HDAC6 (0.39) HDAC6CREBBPKDM1APIP4K2APIP4K2B
SCHEMBL31435599 0.68 PSEN1 (0.49) CREBBPLRRK2NTRK1
SCHEMBL31435577 0.65 LRRK2 (0.34) CREBBPLRRK2NTRK1
SCHEMBL26773882 0.61 CREBBP (0.38) CREBBPLRRK2KDM1A
SCHEMBL26773880 0.61 CREBBP (0.38) CREBBPLRRK2KDM1A
SCHEMBL26773879 0.61 CREBBP (0.38) CREBBPLRRK2KDM1A

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
CN-119661516-A Bicyclic heterocyclic compounds, preparation method and medical application thereof 华润医药研究院(深圳)有限公司 2025-03-21 CN disclosed