SCHEMBL29974597

SCHEMBL29974597

NC(=O)C1(c2nccc(Cl)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 7/20 0.34
SYK P43405 2/20 0.34
KDR P35968 3/20 0.33
PDE4A P27815 1/20 0.33
PANK3 Q9H999 1/20 0.32
MAP4K4 O95819 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
KMT2A Q03164 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 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
SCHEMBL29155747 0.80 KMT2A (0.46) SYKALDH1A1L3MBTL1KMT2A
SCHEMBL19814334 0.76 KMT2A (0.35) FLT4SYKKDRALDH1A1LMNA
Hydrochloric Acid SCHEMBL28331150 0.74 KMT2A (0.34) SYKALDH1A1LMNAL3MBTL1OPRM1
Hydrochloric Acid SCHEMBL19817403 0.74 KMT2A (0.34) SYKALDH1A1LMNAL3MBTL1OPRM1
SCHEMBL23850569 0.73 FLT4 (0.34) FLT4SYKKDRMAP4K4LMNA
SCHEMBL29974013 0.73 FLT4 (0.34) FLT4SYKKDRMAP4K4LMNA
SCHEMBL12002704 0.70 MAP4K4 (0.37) FLT4SYKMAP4K4ALDH1A1LMNA
SCHEMBL30686563 0.70 ALDH1A1 (0.32) FLT4ALDH1A1
SCHEMBL23706250 0.69
SCHEMBL3679512 0.68 NAPRT (0.42) ALDH1A1LMNAL3MBTL1OPRM1OPRL1

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-115124511-B Tacrine derivatives, preparation method thereof and application of tacrine derivatives as CDK2/9 inhibitor 中国人民解放军北部战区总医院 2023-09-26 CN disclosed
CN-115124511-A Tacrine derivative, preparation method thereof and application of tacrine derivative as CDK2/9 inhibitor 中国人民解放军北部战区总医院 2022-09-30 CN disclosed