SCHEMBL27649830

SCHEMBL27649830

CN1CCN(c2ccc(Cc3ccccc3)c(-c3cc[nH]n3)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.45
▸ AGXT P21549 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ MELK Q14680 1/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ ALK Q9UM73 4/20 0.41
▸ HRH1 P35367 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ HRH2 P25021 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 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
SCHEMBL27649551 0.88 AGXT (0.42) HTR6AGXTMELKHTR2AHRH1
SCHEMBL27649645 0.76 AURKA (0.43) HTR6AGXTMELKADRA2CHTR2C
SCHEMBL27669721 0.75 MAP4K1 (0.49) HTR6ALKSIRT6
SCHEMBL27649623 0.73 ADRA2C (0.50) AGXTMELKADRA2C
SCHEMBL27669767 0.73 ADRA2C (0.50) AGXTMELKADRA2C
SCHEMBL4015250 0.72 ADRA2C (0.49) MELKADRA2CHRH4
SCHEMBL27669648 0.72 HTR6 (0.44) HTR6MELKHTR1AADRA2ADRD1
SCHEMBL27649461 0.71 KDM4E (0.48) HTR6ALKHRH4
SCHEMBL27649425 0.71 ALDH1A1 (0.54) HTR6
SCHEMBL27741326 0.70 PDE4A (0.48) —

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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