SCHEMBL18776642

SCHEMBL18776642

CC1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.42
▸ MAP4K4 O95819 1/20 0.41
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ SETD7 Q8WTS6 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ WNT3A P56704 2/20 0.37

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
SCHEMBL14927193 1.00 BTK (0.43) BTKHDAC1GPR119MAP4K4SUV39H2
SCHEMBL14924373 1.00 BTK (0.43) BTKHDAC1GPR119MAP4K4SUV39H2
SCHEMBL14924364 0.88 BTK (0.41) BTKGPR119
SCHEMBL14915354 0.88 BTK (0.42) BTKWNT3A
SCHEMBL10256044 0.87 WNT3A (0.48) BTKGPR119WNT3A
SCHEMBL30507867 0.85 BTK (0.54) BTKGPR119SETD7
SCHEMBL10256545 0.85 BTK (0.44) BTKHDAC1GPR119WNT3A
SCHEMBL25524769 0.85 BTK (0.54) BTKGPR119SETD7
SCHEMBL14912698 0.84 BTK (0.45) BTKGPR119
SCHEMBL14915914 0.84 BTK (0.45) BTKGPR119

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
WO-2022133184-A1 BTK DEGRADER NEWAVE PHARMACEUTICAL INC. (US) 2022-06-23 — — WO disclosed
EP-3002284-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2019-05-22 — — EP disclosed
EP-2773639-B1 ALKYLATED PIPERAZINE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2017-04-26 — — EP disclosed
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