SCHEMBL13942974

SCHEMBL13942974

CCCCNc1nc(NCc2ccc(C)cc2)c2cnn(C)c2n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.64
▸ BCDIN3D Q7Z5W3 16/20 0.61
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ PDE2A O00408 1/20 0.54

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
SCHEMBL13943296 0.88 BCDIN3D (0.79) BCDIN3DMEN1KMT2A
SCHEMBL13946785 0.86 HTR2C (0.60) HTR2CBCDIN3DPDE2A
SCHEMBL13944705 0.86 TP53 (0.64) HTR2CBCDIN3DPDE2A
SCHEMBL13947030 0.84 MAPK1 (0.57) HTR2CBCDIN3D
SCHEMBL13942972 0.83 HTR2C (0.65) HTR2CBCDIN3DPDE2A
SCHEMBL13943267 0.81 BCDIN3D (0.58) HTR2CBCDIN3D
SCHEMBL13947042 0.81 BCDIN3D (0.82) BCDIN3D
SCHEMBL13944720 0.81 BCDIN3D (0.59) HTR2CBCDIN3DPDE2A
SCHEMBL13947368 0.80 BCDIN3D (0.67) HTR2CBCDIN3D
SCHEMBL13942976 0.80 KMT2A (0.66) HTR2CBCDIN3DMEN1KMT2A

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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