SCHEMBL13087520

SCHEMBL13087520

CCCn1ncc2c(NCc3ccccc3C)nc(NC3CCNCC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.46
▸ KHK P50053 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ BCDIN3D Q7Z5W3 8/20 0.38
▸ AXL P30530 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ GAS6 Q14393 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ APP P05067 1/20 0.37
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL13943748 0.80 TP53 (0.61) TP53BCDIN3DPDE2AHTR2C
SCHEMBL13943301 0.72 TP53 (0.66) TP53BCDIN3DPDE2AHTR2C
SCHEMBL13947367 0.67 TP53 (0.65) TP53BCDIN3DPDE2AHTR2C
SCHEMBL13944193 0.67 TP53 (0.65) TP53BCDIN3DPDE2AHTR2C
SCHEMBL2875493 0.66 KDR (0.46) TP53ALDH1A1CYP1A2HSD17B10
SCHEMBL13947360 0.65 TP53 (0.62) TP53ALDH1A1BCDIN3DPLK4PDE2A
SCHEMBL13943257 0.65 TP53 (0.66) TP53ALDH1A1BCDIN3DHTR2C
SCHEMBL13943258 0.64 BCDIN3D (0.59) BCDIN3DPLK4PDE2AHTR2C
SCHEMBL2871542 0.64 PDE5A (0.51) TP53ALDH1A1CYP1A2HSD17B10HTR2C
SCHEMBL13942964 0.64 HTR2C (0.67) TP53ALDH1A1BCDIN3DAXLMERTK

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 — — WO disclosed
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