SCHEMBL27669767

SCHEMBL27669767

CN1CCN(c2ccc(-c3cccc(N)c3)c(-c3cc[nH]n3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 2/20 0.50
▸ FLT3 P36888 1/20 0.46
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ AURKA O14965 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.42
▸ MELK Q14680 1/20 0.42
▸ AGXT P21549 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PTK2B Q14289 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL27649623 0.95 ADRA2C (0.50) ADRA2CFLT3ADORA2AADORA1AURKA
SCHEMBL27649425 0.87 ALDH1A1 (0.54) MAPKAPK2KDM4EMAPTALDH1A1JAK2
SCHEMBL4015250 0.84 ADRA2C (0.49) ADRA2CADORA2AADORA1AURKAMELK
SCHEMBL27669648 0.83 HTR6 (0.44) ADORA2AADORA1MAPKAPK2MELKKDM4E
SCHEMBL27649645 0.81 AURKA (0.43) ADRA2CADORA2AADORA1AURKAMELK
SCHEMBL27649461 0.76 KDM4E (0.48) KDM4EGAAMAPTALDH1A1KMT2A
SCHEMBL27669721 0.75 MAP4K1 (0.49) KDM4EALDH1A1KMT2AMAP4K1JAK2
SCHEMBL28845811 0.73 ADRA2C (0.70) ADRA2CFLT3MAPKAPK2MELKAGXT
SCHEMBL27649830 0.73 HTR6 (0.45) ADRA2CMELKAGXT
SCHEMBL28470068 0.72 ALK (0.51) KDM4EMAPTALDH1A1

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
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 — — CN claimed
CN-1909908-A Pyrazolo [1, 5-a ] pyrimidin-7-yl-amine derivatives for the treatment of protein kinase dependent diseases NOVARTIS AG (CH) 2007-02-07 — — CN disclosed
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