SCHEMBL16986348

SCHEMBL16986348

CCCOCCOc1nc(N)nc2c1CC(c1c(Cl)cccc1Cl)C(=O)N2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 4/20 0.35
▸ CCNB1 P14635 4/20 0.35
▸ CCNA2 P20248 4/20 0.35
▸ CDK2 P24941 4/20 0.35
▸ CCNA1 P78396 3/20 0.35
▸ PIN1 Q13526 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HTR5A P47898 1/20 0.32
▸ KCNJ5 P48544 3/20 0.31
▸ KCNJ3 P48549 3/20 0.31
▸ TP53 P04637 1/20 0.31
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL16986309 0.89 KCNJ5 (0.34) CCNA2CDK2HTR1AHTR2CHTR7
SCHEMBL16986358 0.83 TP53 (0.36) HTR1AHTR2CHTR7HTR5ATP53
SCHEMBL17001192 0.72 KMT2A (0.39) TP53NPC1
SCHEMBL16986350 0.71 KCNH3 (0.36) —
SCHEMBL16310227 0.71 TP53 (0.38) HTR1AHTR2CHTR7HTR5ATP53
SCHEMBL16986334 0.65 NPC1 (0.36) HTR7NPC1
SCHEMBL16986308 0.65 FGFR1 (0.39) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL16986312 0.64 FGFR1 (0.55) —
SCHEMBL16986328 0.61 HSP90AA1 (0.37) TP53
SCHEMBL16986300 0.61 TP53 (0.37) TP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015118110-A1 PYRIDO[2,3-D]PYRIMIDINE-7(8H)-ONE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C INSTITUT QUÍMIC DE SARRIÁ, CETS FUNDACIÓ PRIVADA (ES) 2015-08-13 — — WO disclosed
EP-2905024-A1 Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae Institut Quimic De Sarriá Cets, Fundació Privada (ES) 2015-08-12 — — EP disclosed
EP-2905024-A1 Pyrido[2,3-d]pyrimidine-7(8H)-one derivatives for the treatment of infections caused by Flaviviridae Institut Quimic De Sarriá Cets, Fundació Privada (ES) 2015-08-12 — — EP disclosed
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