SCHEMBL21765957

SCHEMBL21765957

O=C(NC1CN(Cc2ccc(F)c(O)c2)C1)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 9/20 0.40
▸ IRAK4 Q9NWZ3 3/20 0.40
▸ CACNA1H O95180 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ HPGDS O60760 2/20 0.36
▸ POLB P06746 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
SCHEMBL26549318 0.85 CACNA1G (0.42) NTRK1IRAK4CACNA1H
SCHEMBL30032447 0.82 HSD11B1 (0.43) NTRK1
SCHEMBL30032432 0.81 NTRK1 (0.52) NTRK1
SCHEMBL21752890 0.81 NTRK1 (0.52) NTRK1
SCHEMBL23673856 0.81 NTRK1 (0.52) NTRK1
SCHEMBL26549291 0.78 NTRK1 (0.44) NTRK1IRAK4CACNA1HTGFBR1
SCHEMBL21752807 0.78 NTRK1 (0.41) NTRK1
SCHEMBL21752878 0.78 NTRK1 (0.41) NTRK1
SCHEMBL25457167 0.78 NTRK1 (0.41) NTRK1
SCHEMBL30032909 0.78 NTRK1 (0.41) NTRK1

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-3840832-B1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LTD (GB) 2023-10-11 — — EP 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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