SCHEMBL30808294

SCHEMBL30808294

CN(N)c1ncnc2c(C3CC3)csc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
GPR35 Q9HC97 2/20 0.35
GPR119 Q8TDV5 6/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.30
PIP4K2C Q8TBX8 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
SCHEMBL21823085 1.00 MAPK1 (0.42) MAPK1GPR35GPR119NPC1PKM
SCHEMBL21823045 0.78 MAPK1 (0.63) MAPK1NPC1PKM
SCHEMBL21823036 0.76 MAPK1 (0.47) MAPK1GPR119NPC1PKM
SCHEMBL30808297 0.76 MAPK1 (0.47) MAPK1GPR119NPC1PKM
SCHEMBL441195 0.73 AXL (0.37) GPR35GPR119PIP4K2C
SCHEMBL30808244 0.73 AXL (0.37) GPR35GPR119PIP4K2C
SCHEMBL438091 0.73 GPR35 (0.37) GPR35GPR119NPC1PKMPIP4K2C
SCHEMBL21822980 0.73 GPR35 (0.37) GPR35GPR119NPC1PKMPIP4K2C
SCHEMBL30808281 0.71 PIP4K2C (0.42) GPR35GPR119PIP4K2C
SCHEMBL28606328 0.71 PIP4K2C (0.42) GPR35GPR119PIP4K2C

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-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 CN disclosed