SCHEMBL11267279

SCHEMBL11267279

CCCOCCNc1ncc(N)c(O)n1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.33
MERTK Q12866 10/20 0.32
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
AURKB Q96GD4 1/20 0.31
FLT3 P36888 8/20 0.31
TYRO3 Q06418 8/20 0.31
GAS6 Q14393 8/20 0.31
AXL P30530 2/20 0.31

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
SCHEMBL11266023 0.92 MERTK (0.36) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11396125 0.90 MERTK (0.39) KCNH3MERTKP2RX3P2RX2KDR
SCHEMBL10998512 0.85 MAPT (0.37) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11158821 0.84 P2RX3 (0.42) KCNH3MERTKP2RX3P2RX2JAK2
SCHEMBL10996367 0.82 TLR8 (0.43) MERTKFLT3TYRO3GAS6AXL
SCHEMBL11432081 0.82 TSHR (0.43) MERTKFLT3TYRO3GAS6
SCHEMBL11002056 0.79 KMT2A (0.43) KCNH3MERTKJAK1JAK3FLT3
SCHEMBL10998571 0.79 KMT2A (0.43) KCNH3MERTKJAK1JAK3FLT3
SCHEMBL11236452 0.78 KCNH3 (0.43) KCNH3MERTKP2RX3P2RX2JAK3
SCHEMBL11000318 0.78 CYP1A2 (0.41)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0016374-B1 PENICILLINS, THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1982-03-03 EP disclosed
US-4289775-A BACTERICIDAL ANTIBIOTICS KARL THOMAE GMBH (DE) 1981-09-15 US disclosed
EP-0016374-A1 Penicillins, their salts, process for their preparation and therapeutic agents containing these compounds Dr. Karl Thomae GmbH (DE) 1980-10-01 EP disclosed