SCHEMBL24061522

SCHEMBL24061522

Cn1cc(-c2nc3c(-c4cnc(C5C=N5)c(F)c4)ccnc3[nH]2)cn1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.45
▸ AURKA O14965 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ INCENP Q9NQS7 1/20 0.39
▸ TPX2 Q9ULW0 1/20 0.39
▸ LCK P06239 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ CLK3 P49761 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ WNT1 P04628 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
SCHEMBL17646019 0.82 BTK (0.48) BTKAURKAAURKBINCENPTPX2
SCHEMBL20878550 0.82 BTK (0.46) BTKAURKAAURKBINCENPTPX2
SCHEMBL17646000 0.82 BTK (0.48) BTKAURKAAURKBINCENPTPX2
SCHEMBL27457324 0.81 BTK (0.53) BTKAURKAAURKBINCENPTPX2
SCHEMBL17646021 0.80 BTK (0.49) BTKLCK
SCHEMBL21207730 0.80 BTK (0.44) BTKAURKAAURKBINCENPTPX2
SCHEMBL24061690 0.79 BTK (0.51) BTKLCK
SCHEMBL30950575 0.78 BTK (0.59) BTKLCK
SCHEMBL17645701 0.78 BTK (0.59) BTKLCK
SCHEMBL17645888 0.78 BTK (0.73) BTKLCK

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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