SCHEMBL13942987

SCHEMBL13942987

CCN1CCN(c2nc(NCc3ccccc3Cl)c3cnn(C)c3n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.66
▸ HTR2C P28335 10/20 0.52
▸ TP53 P04637 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ ABL1 P00519 2/20 0.43
▸ SRC P12931 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL13942977 0.91 PDE2A (0.69) PDE2AHTR2CTP53
SCHEMBL13943712 0.90 PDE2A (0.63) PDE2AHTR2CTP53BRD4
SCHEMBL13943327 0.89 TP53 (0.60) PDE2AHTR2CTP53KMT2A
SCHEMBL13943722 0.87 PDE2A (0.67) PDE2AHTR2CTP53BRD4ABL1
SCHEMBL13943298 0.86 HTR2C (0.61) PDE2AHTR2C
SCHEMBL13947035 0.84 PDE2A (0.64) PDE2AHTR2CTP53
SCHEMBL13943310 0.81 HTR2C (0.65) PDE2AHTR2CTP53KMT2ACYP1A2
SCHEMBL13946789 0.80 TP53 (0.59) PDE2AHTR2CTP53BRD4
SCHEMBL13946796 0.80 HTR2C (0.58) HTR2CKMT2A
SCHEMBL13947041 0.80 HTR2C (0.62) PDE2AHTR2CTP53

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
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
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