SCHEMBL20726570

SCHEMBL20726570

C1=CCCC(Nc2nccc(N3CCC(N4CCOCC4)CC3)n2)=C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CDK6 Q00534 1/20 0.41
▸ OGA O60502 2/20 0.40
▸ JAK2 O60674 4/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ FLT3 P36888 3/20 0.35
▸ NR2C2 P49116 1/20 0.35
▸ TAB1 Q15750 1/20 0.35
▸ SMG1 Q96Q15 2/20 0.35
▸ TTK P33981 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ ADRA2B P18089 1/20 0.35

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
SCHEMBL2376107 0.78 SMG1 (0.56) HRH4OGAJAK2JAK1JAK3
SCHEMBL2375403 0.74 PLK4 (0.55) JAK2JAK1JAK3FLT3NR2C2
SCHEMBL2376050 0.73 CYP3A4 (0.46) HRH4CDK4CDK6JAK2JAK1
SCHEMBL31681826 0.73 CYP3A4 (0.46) HRH4CDK4CDK6JAK2JAK1
SCHEMBL2375410 0.72 ZAP70 (0.61) —
SCHEMBL2374148 0.71 JAK2 (0.56) JAK2JAK1JAK3SMG1PARP1
SCHEMBL2375211 0.71 SMG1 (0.51) OGANR2C2TAB1SMG1CDK1
SCHEMBL31681845 0.71 SMG1 (0.51) OGANR2C2TAB1SMG1CDK1
SCHEMBL12231947 0.70 ZAP70 (0.49) JAK2JAK1JAK3SMG1TTK
SCHEMBL30839088 0.70 JAK2 (0.64) JAK2JAK1JAK3FLT3PARP1

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-3623374-A1 STEM CELL CULTURES The Scripps Research Institute (US) 2020-03-18 — — EP disclosed
EP-3441394-A1 STEM CELL CULTURES The Scripps Research Institute (US) 2019-02-13 — — EP disclosed
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