SCHEMBL26645677

SCHEMBL26645677

COc1cc(-c2c(-c3ccc(F)cc3)nn3c2CNCC3)ccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.44
MAPK14 Q16539 3/20 0.43
CSNK1D P48730 2/20 0.43
CSNK1E P49674 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
KIT P10721 2/20 0.39
PTGS2 P35354 2/20 0.38
THRB P10828 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL24553831 0.86 TLR9 (0.46) ADORA2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL25221948 0.85 TLR9 (0.40) ADORA2ACSNK1DCSNK1ETHRB
SCHEMBL29683181 0.84 ADORA2A (0.42) ADORA2AMAPK14CSNK1DCSNK1EMAPK13
SCHEMBL24553883 0.84 ADORA2A (0.42) ADORA2AMAPK14CSNK1DCSNK1EMAPK13
SCHEMBL30579567 0.82 SREBF2 (0.44) MAPK14CSNK1DCSNK1EMAPK13MAPK12
SCHEMBL24554221 0.82 CSNK1D (0.40) ADORA2AMAPK14CSNK1DTHRB
SCHEMBL29683052 0.82 ADORA2A (0.43) ADORA2AMAPK14CSNK1DTHRB
SCHEMBL24554419 0.82 ADORA2A (0.43) ADORA2AMAPK14CSNK1DTHRB
SCHEMBL29683210 0.82 CSNK1D (0.40) ADORA2AMAPK14CSNK1DTHRB
SCHEMBL7494623 0.81 MAPK14 (0.43) ADORA2AMAPK14CSNK1DCSNK1EMAPK13

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-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed