SCHEMBL21765939

SCHEMBL21765939

Cc1cnc2ccc(N3CCC(F)C3)nn12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 4/20 0.44
▸ PIM1 P11309 2/20 0.39
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AAK1 Q2M2I8 4/20 0.38
▸ MAP3K7 O43318 3/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ NTRK3 Q16288 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ KDM4E B2RXH2 1/20 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
SCHEMBL18590994 0.86 RXFP1 (0.46) PDE10APIM1HTTSMN1; SMN2AAK1
SCHEMBL23408640 0.84 PIM1 (0.40) PDE10APIM1IRAK4SMN1; SMN2AAK1
SCHEMBL14882280 0.83 PIM1 (0.42) PDE10APIM1IRAK4HTTSMN1; SMN2
SCHEMBL14881665 0.83 PIM1 (0.42) PDE10APIM1IRAK4HTTSMN1; SMN2
SCHEMBL23408576 0.80 PIM1 (0.40) PIM1IRAK4AAK1MAP3K7DYRK3
SCHEMBL12411727 0.79 SMN1; SMN2 (0.55) PDE10APIM1HTTSMN1; SMN2DYRK3
SCHEMBL15258013 0.79 HTT (0.59) PDE10APIM1HTTSMN1; SMN2DYRK3
SCHEMBL14881458 0.79 IRAK4 (0.47) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL14881490 0.79 IRAK4 (0.47) PIM1IRAK4AAK1DYRK3CCNT1
SCHEMBL21765966 0.78 IRAK4 (0.46) PIM1IRAK4AAK1DYRK3CCNT1

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 5 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-2022234287-A1 IMIDAZOPYRIDAZINE DERIVATIVES USEFUL AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2022-11-10 — — WO disclosed
WO-2021148805-A1 TOPICAL PHARMACEUTICAL COMPOSITIONS COMPRISING IMIDAZO[1,2-B]PYRIDAZINE COMPOUNDS BENEVOLENTAI BIO LIMITED (GB) 2021-07-29 — — WO disclosed
WO-2021098745-A1 PREPARATION AND APPLICATION OF A CLASS OF PROTEIN RECEPTOR KINASE INHIBITORS 上海轶诺药业有限公司 2021-05-27 — — 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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