SCHEMBL25409592

SCHEMBL25409592

CCOC(=O)C#Cc1cc(N)cc(Oc2cc(F)cc(F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 6/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EPAS1 Q99814 2/20 0.33
EGLN1 Q9GZT9 1/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
MAOA P21397 1/20 0.31
NPC1 O15118 2/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL853115 0.82 GRM5 (0.38) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL25409979 0.81 KMT2A (0.41) MAPTMEN1KMT2ALMNANPC1
SCHEMBL6553332 0.73 FFAR1 (0.41) MEN1KMT2ALMNACYP1A2CYP3A4
SCHEMBL6553345 0.72 CYP3A4 (0.46) MEN1KMT2ACYP3A4NPC1KDM4E
SCHEMBL20893408 0.72 ALDH1A1 (0.44) MEN1KMT2ALMNACYP1A2NPC1
SCHEMBL2433672 0.70 APP (0.45) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL11236951 0.70 LMNA (0.51) MAPTMEN1KMT2ALMNACYP1A2
SCHEMBL20066494 0.70 FFAR1 (0.37) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL18180534 0.69 FFAR1 (0.36) MAPTMEN1KMT2ALMNACYP3A4
SCHEMBL6828449 0.69 GRM5 (0.53) MAPTLMNACYP3A4

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
WO-2023138675-A1 QUINOLINE COMPOUND AND USE THEREOF 默达药物(香港)有限公司 2023-07-27 WO disclosed
CN-116478129-A Quinoline compound and use thereof 深圳默元生物科技有限公司 2023-07-25 CN disclosed