SCHEMBL11154337

SCHEMBL11154337

Nc1cnc(NCCCO)nc1O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.44
TYRO3 Q06418 5/20 0.40
MERTK Q12866 5/20 0.40
FLT3 P36888 4/20 0.40
GAS6 Q14393 4/20 0.40
AXL P30530 3/20 0.40
ADORA1 P30542 2/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
P2RX3 P56373 2/20 0.40
P2RX2 Q9UBL9 2/20 0.40
KCNH3 Q9ULD8 3/20 0.40
CYP1A2 P05177 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
BCL6 P41182 1/20 0.36
POLB P06746 1/20 0.35
RAD52 P43351 1/20 0.35
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL11399515 0.90 GAA (0.41) TYRO3MERTKFLT3GAS6AXL
SCHEMBL10996367 0.85 TLR8 (0.43) TYRO3MERTKFLT3GAS6AXL
SCHEMBL10998571 0.83 KMT2A (0.43) TYRO3MERTKFLT3GAS6AXL
SCHEMBL11002056 0.83 KMT2A (0.43) TYRO3MERTKFLT3GAS6AXL
SCHEMBL11240946 0.83 SYK (0.35)
SCHEMBL11236452 0.81 KCNH3 (0.43) TYRO3MERTKGAS6P2RX3P2RX2
SCHEMBL10998512 0.81 MAPT (0.37) TYRO3MERTKFLT3GAS6AXL
SCHEMBL11244119 0.80 CA1 (0.32)
SCHEMBL11245946 0.79 MERTK (0.32) TYRO3MERTKFLT3GAS6AXL
SCHEMBL11432081 0.79 TSHR (0.43) TYRO3MERTKFLT3GAS6CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035161-B1 CEPHALOSPORINS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Dr. Karl Thomae GmbH (DE) 1983-11-23 EP disclosed
US-4370327-A Cephalosporins and pharmaceutical compositions BOEHRINGER INGELHEIM GMBH (DE) 1983-01-25 US disclosed
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-0035161-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing these compounds Dr. Karl Thomae GmbH (DE) 1981-09-09 EP 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