SCHEMBL29040376

SCHEMBL29040376

CCOc1cnc(C#N)c(C)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.36
AOC3 Q16853 2/20 0.35
PDE10A Q9Y233 1/20 0.34
SRC P12931 3/20 0.34
MAPT P10636 2/20 0.33
FPR2 P25090 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GRM5 P41594 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8870206 0.78 HSP90AA1 (0.34) HPGDPKMAOC3SRCKDM4E
SCHEMBL7672194 0.78 AGXT (0.46) HPGDPDE10ASRCKDM4EALDH1A1
SCHEMBL22978654 0.71 GRM5 (0.41) HPGDPKMAOC3SRCMAPT
SCHEMBL26260178 0.70 AGXT (0.39) HPGDSRCKDM4EALDH1A1RECQL
SCHEMBL27950710 0.68 KDM4E (0.36) HPGDSRCMAPTKDM4EALDH1A1
SCHEMBL30452378 0.68 EGFR (0.32) HPGDSRC
SCHEMBL24257705 0.68 EGFR (0.32) HPGDSRC
SCHEMBL24257758 0.67 POLB (0.41) MAPTLMNACYP1A2CYP2C19MEN1
SCHEMBL21749932 0.67 PDE4A (0.43) HPGDPDE10ASRCMAPTPDE4A
SCHEMBL20944235 0.67 PKM (0.38) HPGDPKMMAPTPDE4APDE4B

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-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed