SCHEMBL21637243

SCHEMBL21637243

O=C(O)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ IRAK4 Q9NWZ3 3/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ CCNT1 O60563 1/20 0.41

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
SCHEMBL21637233 0.87 HTT (0.46) HTTSMN1; SMN2IRAK4HSD17B10TDP1
SCHEMBL14881882 0.84 IRAK4 (0.49) SMN1; SMN2IRAK4NPC1RAB9AKMT2A
SCHEMBL21765953 0.83 IRAK4 (0.50) HTTSMN1; SMN2IRAK4HSD17B10TDP1
SCHEMBL14881490 0.81 IRAK4 (0.47) IRAK4DYRK3CCNT1CDK9DYRK1A
SCHEMBL14881458 0.81 IRAK4 (0.47) IRAK4DYRK3CCNT1CDK9DYRK1A
SCHEMBL21637248 0.81 HTT (0.46) HTTSMN1; SMN2IRAK4HSD17B10TDP1
SCHEMBL21637228 0.80 NPC1 (0.58) HTTSMN1; SMN2IRAK4NPC1RAB9A
SCHEMBL16243677 0.78 NTRK1 (0.46) IRAK4
SCHEMBL16243675 0.78 NTRK1 (0.46) IRAK4
SCHEMBL21765821 0.78 IRAK4 (0.48) IRAK4TGFBR1

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 4 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
WO-2020016594-A1 IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-01-23 — — WO disclosed
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