SCHEMBL24061699

SCHEMBL24061699

Cn1cc(-c2nc3c(-c4ccc(CNC=O)cc4)ccnc3[nH]2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.47
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ INCENP Q9NQS7 2/20 0.43
▸ TPX2 Q9ULW0 2/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.42
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL24061516 0.86 BTK (0.57) BTK
SCHEMBL24061553 0.85 BTK (0.57) BTK
SCHEMBL17646049 0.84 AURKA (0.46) BTKAURKAAURKBINCENPTPX2
SCHEMBL24061690 0.84 BTK (0.51) BTK
SCHEMBL24061646 0.80 BTK (0.47) BTKAURKAAURKBINCENPTPX2
SCHEMBL17646034 0.79 BTK (0.61) BTK
SCHEMBL17645858 0.76 BTK (0.43) BTKAURKAAURKBINCENPTPX2
SCHEMBL17645975 0.76 BTK (0.79) BTK
SCHEMBL21791346 0.76 BTK (0.43) BTKAURKAAURKBINCENPTPX2
SCHEMBL17645748 0.76 BTK (0.53) BTK

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
EP-3204382-B1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-12-01 — — EP disclosed
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