SCHEMBL31049697

SCHEMBL31049697

CCC(C)(C)Nc1nncc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
MAPT P10636 1/20 0.32
ELANE P08246 1/20 0.31
SLC29A1 Q99808 1/20 0.30
GRM5 P41594 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31049622 0.77 ELANE (0.31) ELANE
SCHEMBL31049600 0.73 RAB9A (0.32)
SCHEMBL31049557 0.70 MAPT (0.30) MAPT
SCHEMBL31049656 0.70 MTNR1A (0.31)
SCHEMBL18502839 0.70
SCHEMBL844311 0.69
SCHEMBL23612391 0.65 ALDH1A1 (0.46) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL23244419 0.64 KDM4E (0.50) GAA
SCHEMBL15257915 0.62 GRM5 (0.36) GRM5
SCHEMBL26538070 0.62 MAPT (0.41) MAPTGAA

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-118619931-A Aryl or heteroaryl derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-09-10 CN disclosed