SCHEMBL3801386

SCHEMBL3801386

CCc1n[nH]c(C2CC2)c1N1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ KHK P50053 3/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ HTR2C P28335 3/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90AB1 P08238 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ HRH1 P35367 1/20 0.30

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
SCHEMBL3731483 0.74 HTR2C (0.34) PDE10AADRB2SLC6A4HTR2CHTR2B
Hydrochloric Acid SCHEMBL3740335 0.73 HTR2C (0.33) PDE10AALDH1A1ADRB2SLC6A4HTR2C
SCHEMBL10650868 0.64 DHFR (0.61) —
SCHEMBL5097183 0.62 KHK (0.54) KHK
SCHEMBL18484592 0.60 HTR2C (0.45) ALDH1A1HTR2CKDM4E
SCHEMBL30883037 0.60 HSP90AA1 (0.48) PDE10AALDH1A1ADRB2LMNAHSP90AA1
SCHEMBL7113990 0.59 GABRA1 (0.36) ALDH1A1LMNA
SCHEMBL21003289 0.58 PARP1 (0.31) ALDH1A1KDM4E
SCHEMBL15318169 0.58 HSP90AA1 (0.43) PDE10AALDH1A1ADRB2LMNAHSP90AA1
SCHEMBL19222487 0.58 HRH2 (0.34) HRH1

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-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 — — EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — WO disclosed
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