SCHEMBL30959611

SCHEMBL30959611

CCOC(=O)Cc1ncnc(Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL2062932 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL8692811 0.75 KDM4E (0.43) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL18703764 0.75 NPC1 (0.47) ALDH1A1MAPTRAB9AMAPK1LMNA
SCHEMBL4538724 0.74 MAPT (0.43) SMN1; SMN2ALDH1A1MAPTRECQLRAB9A
SCHEMBL7404303 0.74 MAPT (0.46) SMN1; SMN2ALDH1A1MAPTRECQLMAPK1
SCHEMBL12298619 0.74 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL21962708 0.73 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MAPK1LMNAL3MBTL1
SCHEMBL12590746 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL372414 0.73 SELE (0.38) SMN1; SMN2ALDH1A1LMNA
SCHEMBL31729297 0.72 SSTR4 (0.45) SMN1; SMN2ALDH1A1MAPTRECQLMAPK1

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
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed