SCHEMBL13947041

SCHEMBL13947041

CCN1CCN(c2nc(NCc3ccc(F)cc3)c3cnn(C)c3n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 15/20 0.62
▸ TP53 P04637 1/20 0.55
▸ CTNNB1 P35222 2/20 0.52
▸ TCF7L2 Q9NQB0 2/20 0.52
▸ HRH4 Q9H3N8 1/20 0.52
▸ PDE2A O00408 1/20 0.50

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 0.93 HTR2C (0.63) HTR2CTP53HRH4PDE2A
SCHEMBL13944729 0.91 HTR2C (0.72) HTR2CTP53CTNNB1TCF7L2HRH4
SCHEMBL13944359 0.90 HTR2C (0.77) HTR2CTP53HRH4PDE2A
SCHEMBL13947035 0.90 PDE2A (0.64) HTR2CTP53HRH4PDE2A
SCHEMBL13943298 0.90 HTR2C (0.61) HTR2CHRH4PDE2A
SCHEMBL13944731 0.89 HTR2C (0.72) HTR2CTP53CTNNB1TCF7L2HRH4
SCHEMBL13944721 0.87 HTR2C (0.74) HTR2CTP53CTNNB1TCF7L2PDE2A
SCHEMBL13944177 0.84 HTR2C (0.57) HTR2CTP53CTNNB1TCF7L2HRH4
SCHEMBL13944192 0.82 HTR2C (0.60) HTR2CHRH4PDE2A
SCHEMBL13946815 0.81 HTR2C (0.72) HTR2CHRH4PDE2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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