SCHEMBL21765953

SCHEMBL21765953

CNC(=O)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.50
▸ CREBBP Q92793 1/20 0.47
▸ HTT P42858 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CLK1 P49759 1/20 0.43
▸ TGFBR1 P36897 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ NPC1 O15118 6/20 0.41
▸ CASP1 P29466 3/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ RAB9A P51151 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL21637243 0.83 HTT (0.47) IRAK4HTTSMN1; SMN2TGFBR1NPC1
SCHEMBL19467090 0.83 NPSR1 (0.54) IRAK4HTTSMN1; SMN2TGFBR1LMNA
SCHEMBL21637233 0.82 HTT (0.46) IRAK4HTTSMN1; SMN2TGFBR1HSD17B10
SCHEMBL19466993 0.82 IRAK4 (0.45) IRAK4CREBBPTGFBR1NPSR1
SCHEMBL21765821 0.81 IRAK4 (0.48) IRAK4TGFBR1
SCHEMBL20355593 0.79 IRAK4 (0.53) IRAK4HTTSMN1; SMN2NPC1ALDH1A1
SCHEMBL14897368 0.79 IRAK4 (0.46) IRAK4SMN1; SMN2LMNANPC1ALDH1A1
SCHEMBL14897258 0.79 IRAK4 (0.48) IRAK4SMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL14897731 0.79 IRAK4 (0.46) IRAK4HTTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL18654705 0.79 IRAK4 (0.43) IRAK4CREBBPHTTSMN1; SMN2HSD17B10

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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