SCHEMBL21765821

SCHEMBL21765821

O=C(NC1CNC1)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 13/20 0.48
▸ TGFBR1 P36897 2/20 0.39
▸ NTRK1 P04629 2/20 0.39
▸ HPGDS O60760 1/20 0.39

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
SCHEMBL21765953 0.81 IRAK4 (0.50) IRAK4TGFBR1
SCHEMBL21637243 0.78 HTT (0.47) IRAK4TGFBR1
SCHEMBL21637233 0.76 HTT (0.46) IRAK4TGFBR1
SCHEMBL21637236 0.76 IRAK4 (0.48) IRAK4TGFBR1NTRK1
SCHEMBL21765957 0.75 NTRK1 (0.40) IRAK4TGFBR1NTRK1HPGDS
SCHEMBL18654864 0.74 IRAK4 (0.47) IRAK4
SCHEMBL30032981 0.73 NTRK1 (0.57) NTRK1
SCHEMBL20355593 0.73 IRAK4 (0.53) IRAK4
SCHEMBL14897258 0.73 IRAK4 (0.48) IRAK4NTRK1
SCHEMBL14897731 0.73 IRAK4 (0.46) IRAK4

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
EP-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 — — EP disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 — — WO disclosed
WO-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 — — WO disclosed
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