SCHEMBL13944729

SCHEMBL13944729

CN1CCN(c2nc(NCc3ccc(F)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 15/20 0.72
▸ HRH4 Q9H3N8 2/20 0.62
▸ TP53 P04637 1/20 0.58
▸ PDE5A O76074 1/20 0.55
▸ CTNNB1 P35222 1/20 0.54
▸ TCF7L2 Q9NQB0 1/20 0.54
▸ PDE2A O00408 1/20 0.53

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
SCHEMBL13944731 0.91 HTR2C (0.72) HTR2CHRH4TP53CTNNB1TCF7L2
SCHEMBL13947041 0.91 HTR2C (0.62) HTR2CHRH4TP53CTNNB1TCF7L2
SCHEMBL13947132 0.90 HTR2C (0.59) HTR2CHRH4PDE5ACTNNB1TCF7L2
SCHEMBL13947568 0.90 HTR2C (0.63) HTR2CHRH4TP53PDE2A
SCHEMBL13944721 0.89 HTR2C (0.74) HTR2CTP53PDE5ACTNNB1TCF7L2
SCHEMBL13946820 0.89 HTR2C (0.70) HTR2CHRH4PDE5APDE2A
SCHEMBL13944359 0.89 HTR2C (0.77) HTR2CHRH4TP53PDE2A
SCHEMBL13944362 0.87 HRH4 (0.63) HTR2CHRH4PDE5APDE2A
SCHEMBL13944177 0.86 HTR2C (0.57) HTR2CHRH4TP53CTNNB1TCF7L2
SCHEMBL23579669 0.85 HTR2C (0.53) HTR2CHRH4PDE5APDE2A

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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