SCHEMBL13944359

SCHEMBL13944359

Cn1ncc2c(NCc3ccc(F)cc3)nc(N3CCN(CCO)CC3)nc21

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 15/20 0.77
▸ HTR2A P28223 3/20 0.57
▸ DRD3 P35462 1/20 0.57
▸ TP53 P04637 1/20 0.53
▸ HRH4 Q9H3N8 1/20 0.50
▸ PDE2A O00408 1/20 0.48

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
SCHEMBL13947568 0.91 HTR2C (0.63) HTR2CTP53HRH4PDE2A
SCHEMBL13943278 0.91 HTR2C (0.63) HTR2CHTR2ADRD3HRH4PDE2A
SCHEMBL13947041 0.90 HTR2C (0.62) HTR2CTP53HRH4PDE2A
SCHEMBL13943747 0.90 HTR2A (0.70) HTR2CHTR2ADRD3HRH4
SCHEMBL13944729 0.89 HTR2C (0.72) HTR2CTP53HRH4PDE2A
SCHEMBL3756996 0.87 HTR2C (1.00) HTR2CHTR2ADRD3
SCHEMBL13944731 0.87 HTR2C (0.72) HTR2CTP53HRH4PDE2A
SCHEMBL13944721 0.85 HTR2C (0.74) HTR2CTP53PDE2A
SCHEMBL13944177 0.82 HTR2C (0.57) HTR2CTP53HRH4
SCHEMBL13944192 0.81 HTR2C (0.60) HTR2CHTR2ADRD3HRH4PDE2A

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
WO-2009023978-A1 PYRAZOLO [3,4 -D] PYRIMIDINE COMPOUNDS AND THEIR USE AS MODULATORS OF PROTEIN KINASE ONCALIS AG (CH) 2009-02-26 — — WO disclosed
EP-2025678-A1 Pyrazolo[3,4-d]pyrimidine compounds and their use as modulators of protein kinase Oncalis AG (CH) 2009-02-18 — — EP disclosed
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